formula	weight	canSMILES	isoSMILES	InChIKey	chem_name	improve_chem_id
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	184475-35-2	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Iressa	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	ZD1839	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Irressat	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	ZD 1839	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	gefitinib (zd1839)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	ZD-1839	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib (GMP)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	N-(3-Chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	4-(3'-Chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	MFCD04307832	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CHEMBL939	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NSC-759856	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	S65743JHBS	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CHEBI:49668	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	3-Chloro-4-Fluoro-N-[(4z)-7-Methoxy-6-(3-Morpholin-4-Ylpropoxy)quinazolin-4(1h)-Ylidene]aniline	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib [USAN]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-02	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	DSSTox_CID_21034	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	DSSTox_RID_79614	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	DSSTox_GSID_41034	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Iressa(TM)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	IRE	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Iressa (TN)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CCRIS 9011	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CAS-184475-35-2	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	SR-00000000262	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	gefitinibum	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	UNII-S65743JHBS	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib (JAN/USAN/INN)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib [USAN:INN:BAN]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitini; Iressa	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	gefitinib (iressa)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib - Iressa	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	IRRESSA	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Iressa (AstraZeneca)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	nchembio866-comp14	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Kinome_3321	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Kinome_3322	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [INN]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [JAN]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [MI]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [VANDF]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [MART.]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [WHO-DD]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	SCHEMBL7866	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib,ZD-1839,Iressa	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [EMA EPAR]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	KBioSS_002241	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	MLS003899193	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CU-00000000396-1	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	BDBM5447	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	cid_123631	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GTPL4941	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [ORANGE BOOK]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	DTXSID8041034	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	GEFITINIB [EP MONOGRAPH]	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib, >=98% (HPLC)	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	BCPP000221	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS2089B19	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3244M21	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3244M22	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3244N21	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3295A21	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3413H08	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3654A07	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3677H08	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3714A05	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HMS3748E17	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Pharmakon1600-01502274	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	BCP01365	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Tox21_111683	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HY-50895G	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NSC715055	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NSC759856	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NSC800105	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	s1025	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	STK621310	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	ZINC19632614	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AKOS000280752	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Tox21_111683_1	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AB20814	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AC-1556	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	BCP9000718	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CCG-220642	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CS-0124	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	DB00317	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	KS-1204	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NSC 759856	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NSC-715055	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NSC-800105	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-(3-morpholinopropoxy)quinazoline	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-4-morpholin)propoxy)-	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	6-(3-morpholinopropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-03	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-04	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-05	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-06	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-08	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-09	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	NCGC00159455-14	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	BCB03_000781	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	BG164498	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	HY-50895	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	SMR002204119	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	SY002154	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AM20090619	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	CS-0622782	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	FT-0602325	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	G0546	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	SW199108-4	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	EC-000.2409	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	D01977	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	EN300-123024	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	G-4408	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	K00240	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AB01273954-01	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AB01273954-02	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AB01273954-03	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	AB01273954_04	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	475G352	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	A812870	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Q417824	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Q-201149	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	SR-00000000262-2	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	SR-00000000262-3	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib, EuropePharmacopoeia (EP) Reference Standard	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Z1546610485	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)-quinazoline	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	Gefitinib for system suitability, EuropePharmacopoeia (EP) Reference Standard	PC_123631
C22H24ClFN4O3	446.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	(3-CHLORO-4-FLUORO-PHENYL)-[7-METHOXY-6-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-4-YL]-AMINE	PC_123631
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	152459-95-5	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	STI571	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib (STI571)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib free base	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Cgp 57148	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Glamox	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	STI 571	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib (INN)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib Methansulfonate	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CGP-57148	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	152459-95-5 (free base)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BKJ8M8G5HI	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CHEMBL941	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC-743414	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC-759854	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CHEBI:45783	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	MFCD05662257	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC743414	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	IMATINIB [INN]	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib [INN:BAN]	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Benzamide, 4-((4-methyl)-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	STI	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Glamox (TN)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CCRIS 9076	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	SR-01000763561	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-02	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	UNII-BKJ8M8G5HI	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	ST1571	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	ST 1571	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	imatinib-CD3	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	1iep	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	1xbb	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Gleevec(TM)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl)-benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl}-benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[(4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib (Gleevec)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib - Gleevec	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib, 21	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib, Free base	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	alpha-(4-Methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Kinome_3724	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	112GI019	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	IMATINIB [MI]	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	IMATINIB [VANDF]	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	IMATINIB [WHO-DD]	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Gleevec (TN) (Novartis)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	cid_5291	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	SCHEMBL3827	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Imatinib-d3(N-methyl-d3)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	IMATINIB [EMA EPAR]	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	STI-571; IMATINIB	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BIDD:GT0047	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	GTPL5687	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	DTXSID3037125	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BDBM13530	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	EX-A063	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BCPP000205	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CGP057148B	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	HMS2089D03	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	HMS3244P06	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	HMS3244P10	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	HMS3244P14	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	HMS3656K04	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	HMS3715P03	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Pharmakon1600-01502276	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BCP01542	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AC-524	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC759854	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC800772	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	STK617705	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	VCC905240	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	ZINC19632618	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AKOS000280662	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BCP9000775	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CCG-101289	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CS-0964	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	DB00619	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	ES-0058	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC 743414	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC 759854	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NSC-800772	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	SB17306	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	ST-1571	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	MRF-0000449	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-01	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-03	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-04	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-05	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-06	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-07	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-09	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	NCGC00159456-16	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide methanesulfonate	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BI164570	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	HY-15463	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	N-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	N-[4-Methyl-3-[[4-(3-pyridyl)-2-pyrimidyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	SY028029	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AM20090646	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	FT-0651483	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	I0906	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	S2475	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	SW197805-5	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	D08066	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	EN300-123057	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AB00698388-07	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AB00698388-10	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AB00698388-11	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AB00698388-12	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AB00698388-13	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AB00698388_15	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	AB00698388_16	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	459I955	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	A809313	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Q177094	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Q-201231	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	SR-01000763561-4	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	SR-01000763561-6	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BRD-K92723993-066-02-9	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BRD-K92723993-066-04-5	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Z1546624232	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	1080014-82-9	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-(4-Me-piperazin-1-ylmethyl)-N-[4-Me-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3- pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	4-[(4-methyl-1-piperazinyl)methyl]-n[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	BENZAMIDE, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-N-(4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINOPHENYL)-	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- (9CI)	PC_5291
C29H31N7O	493.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide	PC_5291
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Erlotinib	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	183321-74-6	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Tarceva	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Erlotinib free base	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	OSI-774	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Erlotinib, Free Base	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	183321-74-6 (free base)	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NSC 718781	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CHEMBL553	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	J4T82NDH7E	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CP358774	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CP-358,774	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CHEBI:114785	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	MFCD02089651	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	RG-1415	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NCGC00164574-01	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CP-35877401	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	R-1415	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	DSSTox_CID_26454	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	DSSTox_RID_81628	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	DSSTox_GSID_46454	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Erlotinib(Tarceva)	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	OSI-744	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CAS-183321-74-6	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NSC718781	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Erlotinib [INN:BAN]	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SR-05000001460	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	UNII-J4T82NDH7E	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	erlotinibum	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Erotinib	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HSDB 8082	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	OSI 744	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	nchembio866-comp3	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Kinome_3317	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	ERLOTINIB [MI]	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	ERLOTINIB [VANDF]	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	R 1415	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	ERLOTINIB [WHO-DD]	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SCHEMBL8413	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	ERLOTINIB [EMA EPAR]	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	BDBM5446	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	cid_176870	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	GTPL4920	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	DTXSID8046454	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HMS2089F05	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HMS3244M19	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HMS3244M20	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HMS3244N19	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HMS3295A19	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HMS3713C22	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HMS3745M05	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	ZINC1546066	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Tox21_112202	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	AC-399	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NSC800097	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	s7786	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	STK623143	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	AKOS000282911	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Tox21_112202_1	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CCG-220420	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	CS-0620	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	DB00530	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NSC-800097	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Ro-508231	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SB16916	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NCGC00164574-03	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NCGC00164574-05	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NCGC00164574-06	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NCGC00164574-14	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	NCGC00164574-25	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	AS-35132	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	BCB03_000783	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	BE164419	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	HY-50896	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SY028059	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	AM20090621	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	FT-0651539	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	R1415	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	EN300-708808	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	K00241	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	AB01273955-01	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	AB01273955-02	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	AB01273955-03	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	321E746	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Q418369	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SR-05000001460-1	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SR-05000001460-2	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SR-05000001460-3	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	SR-05000001460-6	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	BRD-K70401845-003-04-7	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	Z2588038919	PC_176870
C22H23N3O4	393.4	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N	1429636-49-6	PC_176870
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	tretinoin	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	302-79-4	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vitamin A acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	trans-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	ATRA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retin-A	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vesanoid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Aberel	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Eudyna	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Renova	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Airol	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	All-trans Retinoic Acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-Vitamin A acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Dermairol	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Aknoten	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Aknefug	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Cordes vas	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Epi-aberel	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINON	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretin M	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retin A	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Atralin	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-Vitamin A1 acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-Tretinoin	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retionic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	All Trans Retinoic Acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vitamin A1 acid, all-trans-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retin-A Micro	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	beta-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-(E)-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vitamin A acid, all-trans-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoate	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid, all-trans-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Alltrans-retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NSC-122758	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retacnyl	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vesnaroid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Ro 1-5488	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin, all-trans-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all trans-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Stieva-A	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoine	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Solage	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-beta-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Effederm	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	.beta.-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Kerlocal	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Oristar rna	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	RETINOIC ACID, ALL TRANS	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin/All-Trans Retinoic Acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Aberela [Norway]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Avitoin [Norway]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Effederm [France]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	A-Acido (Argentina)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	MLS000028588	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	b-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid (GMP)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoine [INN-French]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoinum [INN-Latin]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AT-RA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoina [INN-Spanish]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoino [INN-Spanish]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CHEMBL38	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NSC122758	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Atragen	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinova	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SMR000058245	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CHEBI:15367	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	15-Apo-beta-caroten-15-oic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	5688UTC01R	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin (TN)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	beta-Ra	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Acnavit [Denmark]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AGN 100335	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	REA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	9-cis-RA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retin A (TN)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-10	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoinum	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Aberela	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Acnavit	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Avitoin	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Betarretin	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoina	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoino	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	A-Vitaminsyre	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	MFCD00001551	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-b-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	DSSTox_CID_1239	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Cordes VAS [Germany]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	A-Vitaminsyre [Denmark]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	DSSTox_RID_76031	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	DSSTox_GSID_21239	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	trans-Retinoate	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	beta-Retinoate	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	tretinoine (French) (EINECS)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	cis-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Acide retinoique (French) (DSL)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Refissa	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Nexret	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vitamin a acid, trans-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retisol-A	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Acid A Vit (Belgium, Netherlands)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(11Z)-retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	[3H]Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Renova (TN)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CCRIS 3294	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Avita (TN)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HSDB 2169	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	EINECS 206-129-0	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NSC 122758	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BRN 2057223	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	retinoicacid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin (JAN/USP/INN)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid, cis-9,trans-13-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinion	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TNP00194	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	UNII-5688UTC01R	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BML2-E05	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	DTXSID7021239	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	1cbr	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	[3H]tretinoin	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	[All-E]-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin [USAN:USP:INN:BAN]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CAS-302-79-4	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Prestwick_424	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-(E)-Retinoate	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoine (French)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	ALTRENO	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid, cis-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(5E)-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	[3H]Vitamin A acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	1n4h	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CPD000058245	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid all trans	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [INN]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [JAN]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	6-s-trans-retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [HSDB]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [USAN]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vitamin-A-sA currencyure	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Opera_ID_1055	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Prestwick2_000257	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Prestwick3_000257	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Spectrum5_001746	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Spectrum5_001933	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [VANDF]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	acide retinoique (French)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Vesanoid (TN) (Roche)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin - Retinoic Acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	bmse000562	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [MART.]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	UPCMLD-DP097	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	R 2625	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Renova (0.02% cream)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	RETINOIC ACID [MI]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SCHEMBL3145	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [USP-RS]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [WHO-DD]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(9Z,13Z)-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Altreno (0.05% lotion)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BIDD:PXR0081	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Lopac0_001061	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Avita (0.025% gel)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BSPBio_000074	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BSPBio_001500	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	RETINOIC ACID [INCI]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	MLS001076515	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	MLS002207234	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	MLS002222211	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	MLS002548861	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	MLS006010222	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BIDD:GT0483	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SPECTRUM1502016	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	9-cis-retinoic acid (9cRA)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	[3H]RA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BPBio1_000082	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	cid_444795	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	GTPL2644	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	.beta.-all-trans-Retinoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [ORANGE BOOK]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	ZIANA COMPONENT TRETINOIN	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-retinoic acid (ATRA)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SCHEMBL19091395	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [EP MONOGRAPH]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BDBM31883	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS502N05	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SOLAGE COMPONENT TRETINOIN	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TWYNEO COMPONENT TRETINOIN	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	VELTIN COMPONENT TRETINOIN	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN [USP MONOGRAPH]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BCPP000036	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BDBM323588	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS1361K22	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS1568D16	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS1791K22	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS1921D14	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS1989K22	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS2089D20	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS2092N11	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS2095D16	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS2236N03	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS3259E11	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS3263E04	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS3402K22	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS3411B09	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS3675B09	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HMS3712D16	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Pharmakon1600-01502016	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid, all-trans- (8CI)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	124510-04-9	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6Z,8E)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	ACT00012	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BCP01405	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN COMPONENT OF ZIANA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRI-LUMA COMPONENT TRETINOIN	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	US10188615, at-RA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tox21_110812	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tox21_202330	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tox21_300305	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tox21_501061	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN COMPONENT OF SOLAGE	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN COMPONENT OF TWYNEO	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN COMPONENT OF VELTIN	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	All-trans Retinoic Acid (Tretinoin)	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CCG-39912	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HY-14649G	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	LMPR01090019	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NSC759631	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	s1653	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	ZINC12358651	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AKOS000280845	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tox21_110812_1	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AC-6824	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CS-1269	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	DB00755	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	GS-3578	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	LP01061	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NC00481	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NSC-759631	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SDCCGSBI-0051031.P004	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	TRETINOIN COMPONENT OF TRI-LUMA	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	IDI1_000903	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	IDI1_033970	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-05	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-06	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-07	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-08	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-09	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-12	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-15	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-16	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-17	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-18	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-19	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-20	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-23	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00017280-38	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-04	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-05	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-06	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-07	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-09	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-11	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-14	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00021808-15	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00254179-01	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00259879-01	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	NCGC00261746-01	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BP-20401	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BR164493	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	HY-14649	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Retinoic acid, >=98% (HPLC), powder	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SBI-0051031.P003	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	CS-0626116	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	EU-0101061	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	ISOTRETINOIN IMPURITY A [EP IMPURITY]	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	R0064	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SW203749-4	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	02T794	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	C00777	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	D00094	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Q29417	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AB00052318-15	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AB00052318-16	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AB00052318-17	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AB00052318_18	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	AB00052318_19	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	A899883	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	EN300-27107561	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	L000833	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Q-200610	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-3	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-4	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-6	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-7	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BRD-K06926592-001-01-7	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BRD-K71879491-001-15-0	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	BRD-K71879491-001-22-6	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-12	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-13	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-14	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	SR-01000000239-15	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	WLN: L6UTJ A1 B1U1Y1&U2U1Y1&U1VQ C1 C1	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin, European Pharmacopoeia (EP) Reference Standard	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	WLN: L6UTJ A1 B1U1Y1 & U2U1Y1 & U1VQ C1 C1	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin, United States Pharmacopeia (USP) Reference Standard	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	Tretinoin, Pharmaceutical Secondary Standard; Certified Reference Material	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(2E,4E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(4E,6E,8E)-9-(2,6,6-Trimethyl-1-cyclohexenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2E,4E,6E,8E,-nonatetraenoic acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic Acid	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,4, 6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6, 6-trimethyl-1-cyclohexen-1-yl)-, (2E, 4E, 6E, 8E)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)--, (all trans)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all trans)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	2,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid-, (all trans)-	PC_444795
C20H28O2	300.4	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	97950-17-9	PC_444795
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	231277-92-2	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib Ditosylate	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Tykerb	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW572016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib base	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW 572016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib [INN]	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Tyverb	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	388082-78-8	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib (INN)	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib free base	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib (free base)	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	231277-92-2 (free base)	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GSK572016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	FMM	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	CHEMBL554	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW-572016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	CHEBI:49603	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	0VUA21238F	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NSC745750	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GSK-572016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW-572016X	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	1210608-87-9	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NCGC00167507-01	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	DSSTox_CID_26675	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	DSSTox_RID_81812	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	DSSTox_GSID_46675	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GSK 572016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	CAS-231277-92-2	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW-2016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib [INN:BAN]	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	MFCD09264194	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW 282974X	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	UNII-0VUA21238F	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	HSDB 8209	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	1xkk	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib, Free base	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib 13C-D7	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	nchembio866-comp20	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Kinome_3684	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Kinome_3685	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib base- Bio-X	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	LAPATINIB [MI]	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	LAPATINIB [VANDF]	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	LAPATINIB [WHO-DD]	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	SCHEMBL8100	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Lapatinib (GW572016)	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	LAPATINIB [EMA EPAR]	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BDBM5445	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	cid_208908	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GTPL5692	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	DTXSID7046675	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	EX-A402	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BCPP000188	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BCPP000189	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	HMS2089H10	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	HMS3244N06	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	HMS3244N10	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	HMS3244N14	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	HMS3744K11	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Tykerb (TN) (Glaxo Smith Kline)	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BCP01874	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	ZINC1550477	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Tox21_112505	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NSC800780	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AKOS005145766	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Tox21_112505_1	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AC-1314	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BCP9000837	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BCP9000838	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	CCG-270133	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	DB01259	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NSC-745750	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NSC-800780	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	SB16918	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NCGC00167507-02	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NCGC00167507-03	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NCGC00167507-04	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	NCGC00167507-09	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	913989-15-8	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AS-14065	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BC164610	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	HY-50898	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-(3-Chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AM20090641	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	FT-0659650	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	L0360	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	SW199101-5	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	A25184	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	D08108	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	EN300-117254	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AB01273965-01	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AB01273965-02	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AB01273965-03	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AB01273965_04	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	AB01273965_05	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	277L922	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Q420323	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	Q-101353	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	SR-05000001472-1	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BRD-K19687926-001-01-7	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	BRD-K19687926-379-02-5	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW572016;GW-572016;GW 572016	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	1092929-10-6	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	GW-2016;N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine;4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl] quinazolin-4-amine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-{3-chloro-4-[(3-fluoro-benzyl)oxy]phenyl}-6-[5-({2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methane sulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N-{3-Chloro-4[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methane sulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine	PC_208908
C29H26ClFN4O4S	581.1	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	N3-Chloro-4-(3-fluorophenyl)methoxyphenyl-6-5-(2-methylsulfonylethylamino)methyl-2-furylquinazolin-4-amine	PC_208908
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	179324-69-7	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Velcade	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	PS-341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	LDP-341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib (PS-341)	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	radiciol	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Ps 341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	((R)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	DPBA	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	LDP 341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib accord	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NSC-681239	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib (Velcade)	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	MLN-341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	[(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	MG 341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	MG-341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Boronic acid, B-[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]-	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NSC 681239	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	69G8BD63PP	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	CHEMBL325041	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Peptide boronate	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	CHEBI:52717	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NSC681239	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NCGC00242506-02	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	S1013	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	DSSTox_CID_20980	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	DSSTox_RID_79609	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	DSSTox_GSID_40980	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Pyz-Phe-boroLeu	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	(R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butylboronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	[(1R)-3-methyl-1-({(2S)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoyl}amino)butyl]boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Boronic acid, ((1R)-3-methyl-1-(((2S)-1-oxo-3-phenyl-2-((pyrazinylcarbonyl)amino)propyl)amino)butyl)-	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	N-((1S)-1-Benzyl-2-(((1R)-1-(dihydroxyboranyl)-3-methylbutyl)amino)-2-oxoethyl)pyrazinecarboxamide	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Velcade (TN)	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	CAS-179324-69-7	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	PS 341 (pharmaceutical)	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	UNII-69G8BD63PP	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Brotezamide	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	PROSCRIPT BORONIC ACID	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib [USAN:INN:BAN]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	HSDB 7666	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib hydrate	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib,Velcade	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	LPD 341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	LPD-341	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NCGC00168751-01	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NCGC00181022-01	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	((1R)-3-Methyl-1-(((2S)-3-phenyl-2-((pyrazinylcarbonyl)amino)propanoyl)amino)butyl)boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	[(1R)-3-Methyl-1-[[(2S)-3-phenyl-2-[(pyrazinylcarbonyl)amino]propanoyl]amino]butyl]boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib- Bio-X	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib [USAN]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	MFCD09056737	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Velcade (Millenium)	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	3mg0	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [MI]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [INN]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [JAN]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [HSDB]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [VANDF]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [MART.]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [WHO-DD]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	MLS004774142	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib (JAN/USAN/INN)	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [EMA EPAR]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	SCHEMBL192129	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	GTPL6391	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB [ORANGE BOOK]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BORTEZOMIB HYDRATE [JAN]	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	DTXSID3040980	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Tox21_112630	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Tox21_112672	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BDBM50069989	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NSC756655	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	AKOS015909706	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Tox21_112672_1	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	ZINC169746649	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	AM81235	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	CCG-268449	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	CS-1039	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	DB00188	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NSC-756655	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Bortezomib (Velcade,MG-341,PS-341)	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NCGC00242506-01	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NCGC00242506-06	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NCGC00242506-07	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	AS-15721	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BB164258	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	HY-10227	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	NCI60_029010	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	SMR003500787	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	B5741	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	SW208077-3	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	A18332	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	D03150	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	EN300-657180	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	AB01273951-01	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	AB01273951-02	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	AB01273951_03	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	324B697	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Q419319	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	SR-01000939863	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	SR-01000939863-2	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	BRD-K88510285-001-02-0	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Z2213886907	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronicacid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	(R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-6-carboxamido)propanamido)butylboronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	[(1R)-3-methyl-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]butyl]boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	(1R)-3-Methyl-1-({(2S)-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propanoyl}amino)butylboronic acid, AldrichCPR	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	(R)-3-METHYL-1-((S)-3-PHENYL-2-(PYRAZINE-2-CARBOXAMIDO)PROPANAMIDO)BUTAN-2-YLBORONIC ACID	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	[(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]-butyl]boronic acid	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	1610526-91-4	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Boronic acid, (3-methyl-1-((1-oxo-3-phenyl-2-((pyrazinylcarbonyl)amino)propyl)amino)butyl)-, (S-(R*,S*))-	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	Boronic acid, [(1(R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]-	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	N-((1S)-1-benzyl-2-(((1R)-1-(dihydroxyboranyl)-3-methylbutyl)amino)2-oxoethylpyrazinecarboxamide	PC_387447
C19H25BN4O4	384.2	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-N(alpha)-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide	PC_387447
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	153559-49-0	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Targretin	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Targrexin	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LGD1069	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LGD 1069	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LGD-1069	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LG100069	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	166175-31-1	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Targretyn	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LG 100069	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LG-100069	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NSC-747528	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	CHEMBL1023	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Targret	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	CHEBI:50859	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	A61RXM4375	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene [USAN]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NCGC00181016-01	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Ro 26-4455	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SR 11247	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	DSSTox_CID_20619	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	DSSTox_RID_79514	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	DSSTox_GSID_40619	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	bexaroteno	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	bexarotenum	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexaroten	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LG 1069	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Targretin (TN)	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	CAS-153559-49-0	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	HSDB 7453	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SR-05000001480	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene [USAN:INN:BAN]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	UNII-A61RXM4375	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	DTXSID1040619	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)benzoic Acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	LG 69	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene- Bio-X	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-(1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)vinyl)benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	MFCD00932428	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene-[13C4]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4k6i	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [MI]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [INN]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [JAN]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [HSDB]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene oral(targretin)	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [VANDF]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [MART.]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SCHEMBL9025	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [WHO-DD]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BIDD:PXR0021	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	MLS006010146	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene (JAN/USAN/INN)	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [EMA EPAR]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	GTPL2807	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BEXAROTENE [ORANGE BOOK]	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Bexarotene, >=98% (HPLC)	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	HMS2089L14	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	HMS3655D19	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	HMS3747C21	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	HMS3884B07	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(1,1,4,4,7-pentamethyltetralin-6-yl)vinyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	ACT03911	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	AMY24869	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BCP04099	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	ZINC1539579	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Tox21_112666	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Tox21_302407	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BDBM50032675	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	DL-298	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NSC747528	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NSC783322	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	s2098	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	AKOS015902814	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Tox21_112666_1	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BCP9000396	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	CCG-221823	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	CS-0626	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	DB00307	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NSC 741061	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NSC 747528	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NSC-783322	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SB17341	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SS-4628	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Benzoic acid, 4-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)-	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NCGC00181016-02	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NCGC00181016-03	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NCGC00181016-04	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NCGC00181016-08	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NCGC00181016-20	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	NCGC00255426-01	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	AC-24569	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BB164246	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	HY-14171	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SMR001614557	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BCP0726000106	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	B4798	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	FT-0657110	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	FT-0702645	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SW203810-3	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	D03106	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	AB01275475-01	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	AB01275475_02	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	559B490	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	A809441	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	EN300-19769221	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Q418192	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	J-009026	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	J-519847	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SR-05000001480-1	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	SR-05000001480-2	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	BRD-K92441787-001-02-5	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4,6-DICHLORO-2,3-DIHYDRO-1H-INDOLEHYDROCHLORIDE	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyltetralin-2-yl)ethenyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)vinyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-vinyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(5,6,7,8,-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphtalenyl)ethenyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-ethenyl]benzoic acid	PC_82146
C24H28O2	348.5	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	Benzoic acid,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-	PC_82146
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	bicalutamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	90357-06-5	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Casodex	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide (CDX)	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Calutide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	ICI 176334	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	ICI-176334	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	ICI 176,334	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide (Casodex)	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Cosudex	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	A0Z3NAU9DP	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CHEMBL409	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NSC-759816	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	ICI176,334-1	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Raffolutil	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Kalumid	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SMR000466329	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Casodex (TN)	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SR-01000759410	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	UNII-A0Z3NAU9DP	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BRN 5364666	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamine	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide (JAN/USP/INN)	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Propanamide,	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CCRIS 8728	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HSDB 7655	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide [USAN:USP:INN:BAN]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	MFCD00869971	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	(+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	KS-1161	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide - Casodex	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CPD000466329	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [MI]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [INN]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [JAN]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [HSDB]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [USAN]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SCHEMBL3611	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [VANDF]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [MART.]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	(R)-(-)-Bicalutamide-d4	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	MLS000759437	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	MLS001424047	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	S-(+)-Bicalutamide-[d4]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [USP-RS]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [WHO-DD]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	GTPL2863	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	DTXSID2022678	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BDBM18525	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CHEBI:91617	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	EX-A962	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CHEBI:144093	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BCPP000337	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [ORANGE BOOK]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS2051B13	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS2089N12	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS2232H03	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS3263M13	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS3372K05	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS3393B13	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS3654K18	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HMS3714P13	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Pharmakon1600-01504827	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [EP MONOGRAPH]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [USP IMPURITY]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	ACT06291	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	AMY33430	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BCP02110	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BICALUTAMIDE [USP MONOGRAPH]	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Tox21_501026	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NSC722665	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NSC759816	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	s1190	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	AKOS015895073	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	AC-4232	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BCP9000408	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CCG-100951	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CCG-220876	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CCG-222330	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	CS-1296	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	DB01128	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	LP01026	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NC00201	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NSC 759816	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NSC-722665	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SB17301	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SDCCGSBI-0633779.P001	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-(4-cyano-3-(trifluoromethyl)phenyl)	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NCGC00167977-01	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NCGC00167977-02	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NCGC00167977-03	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NCGC00167977-09	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NCGC00167977-20	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	NCGC00261711-01	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	HY-14249	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	DB-041165	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	B3206	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	FT-0618286	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	FT-0631069	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	FT-0663100	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SW197581-4	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide (CDX), >=98% (HPLC), powder	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	C08160	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	D00961	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	AB00639963-06	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	AB00639963-08	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	AB00639963-09	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	AB00639963_10	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	EN300-1715981	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	357B065	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	A803039	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	A843528	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Q1988832	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SR-01000759410-4	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	SR-01000759410-5	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	BRD-A29485665-001-03-7	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Z2108698963	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide, British Pharmacopoeia (BP) Reference Standard	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide, European Pharmacopoeia (EP) Reference Standard	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide, United States Pharmacopeia (USP) Reference Standard	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	4'-cyano-3-[(4- fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	4'-cyano-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide for system suitability, European Pharmacopoeia (EP) Reference Standard	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	Bicalutamide, Pharmaceutical Secondary Standard; Certified Reference Material	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	(+/-)-4'-CYANO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-3-((P-FLUOROPHENYL)SULFONYL)-2-METHYL-M-LACTOTOLUIDIDE	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-N-phenylpropanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-fluorophenylsulfonyl)-2-hydroxy-2-methylpropanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorobenzenesulfonyl)-2-hydroxy-2-methylpropanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidanyl-propanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropionamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	N-[4-cyano-3-trifluoromethyl-phenyl]-3-[4-fluorophenyl-sulfonyl]-2-hydroxy-2-methyl-propionamide	PC_2375
C18H14F4N2O4S	430.4	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFONYL)-2-HYDROXY-2-METHYL-, (+/-)-	PC_2375
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	cytarabine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	147-94-4	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Ara-C	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Arabinocytidine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Aracytin	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Depocyt	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosar-U	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Aracytine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Tarabine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Udicil	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-Arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Aracytidine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	DepoCyte	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabin	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosar	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	arabinocytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabinum	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine beta-D-arabinofuranoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Spongocytidine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosinearabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Citarabina	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Alexan	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	beta-D-Arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabinum [INN-Latin]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Citarabina [INN-Spanish]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	AraC	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine beta-D-arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Arabitin	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabina	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Arafcyt	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Erpalfa	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Iretin	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine-1-beta-D-arabinofuranoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1beta-D-Arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine arabinose	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1beta-Arabinofuranasylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine 1-beta-D-arabinofuranoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	cytarabine liposome	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1beta-D-Arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-Arabinofaranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	U 19920A	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine-beta-D-arabinofuranoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine arabinofuranoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Depocyt (liposomal)	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-Arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	U-19,920	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-Arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Arabinoside C	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CHEMBL803	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	U-19920	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	AR3	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytonal	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CHEBI:28680	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CHX 3311	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	04079A1RDZ	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-arabinofuranosyl-cytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CCRIS 913	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	beta-Ara C	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NSC-287459	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine, 1-beta-D-arabinosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	HSDB 3049	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	(beta-D-Arabinofuranosyl)cytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NCGC00093356-03	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	2(1H)-Pyrimidinone, 4-amino-1-y-D-arabinofuranosyl- [CAS]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	MFCD00066487	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	DSSTox_CID_2877	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine, 1-beta-D-arabinofuranosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NSC 287459	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	AC-1075	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	DSSTox_RID_76771	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	DSSTox_GSID_22877	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	AI3-52329	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine arabinoside (VAN)	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	beta-Arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Beta-cytosine arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine-beta-arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Ara-Cytidine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	cytarabine liposome injection	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Arabinosyl Cytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine, beta-D-arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CAS-147-94-4	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SMR000449317	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Depocyt (TN)	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	69-74-9	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine b-D-arabinofuranoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	EINECS 205-705-9	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-(arabinofuranosyl)cytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytartbine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	UNII-04079A1RDZ	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-.beta.-D-Arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SR-01000075773	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NSC287459	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon [Czech]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin [Czech]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-.beta.-D-arabinofuranosyl-cytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-b-D-arabinofuranosyl-2-(1H)-pyrimidinone	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-Arabinofuranosylcytosine, Cytosine Arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine [USAN:USP:INN:BAN:JAN]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	MK 8242	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	beta -arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [MI]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [INN]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [JAN]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [HSDB]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [USAN]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	beta -cytosine arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	beta -D-arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine-beta -arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [VANDF]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [MART.]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SCHEMBL3140	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1beta -D-Arabinosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [USP-RS]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [WHO-DD]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [WHO-IP]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	BIDD:PXR0139	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Lopac0_000316	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	MLS000758310	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	MLS001066340	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	MLS001424023	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-Arabinosyl-Cytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	BIDD:GT0371	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [EMA EPAR]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine, beta -D-arabinoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1beta -Arabinofuranasylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine (JP17/USP/INN)	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	GTPL4827	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-ss-D-Arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [ORANGE BOOK]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	DTXSID3022877	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SCHEMBL22591193	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SCHEMBL23152019	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1beta -D-Arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [EP MONOGRAPH]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [USP IMPURITY]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine, 1-beta -D-arabinosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	VYXEOS COMPONENT CYTARABINE	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta -d-arabinofuranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta-D-arabinofuranosyl cytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE [USP MONOGRAPH]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine-beta -D-arabinofuranoside	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	HMS2051K19	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	HMS2090A18	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	HMS2230M16	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	HMS3713N12	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta -D-Arabinofaranosylcytosine	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINE LIPOSOME [VANDF]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CYTARABINUM [WHO-IP LATIN]	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	BCP02876	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	ZINC3795098	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Tox21_111203	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Tox21_301971	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	BDBM50087289	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	CCG-51297	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	s1648	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	(non-labelled)Cytarabine-13C-15N2	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	AKOS007930145	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	AKOS015896896	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	AM84428	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine, 1-beta -D-arabinofuranosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	DB00987	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	KS-5063	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NC00070	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SDCCGSBI-0050304.P002	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NCGC00093356-04	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NCGC00093356-05	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NCGC00093356-06	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NCGC00093356-19	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NCGC00142483-02	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	NCGC00255381-01	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	BA164339	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	HY-13605	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SRI-10828-19	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SRI-10828-20	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SRI-10828_24	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SL-000002	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SW197450-5	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	C02961	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	D00168	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	EN300-118320	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-BETA-D-ARABINOFURANOSYLCYTOSINE; ARA-C	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	147C944	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	A808710	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Q180983	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SR-01000721860	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	J-520199	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	J-700005	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	J-700166	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SR-01000075773-3	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SR-01000075773-5	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	SR-01000721860-6	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	1-beta -D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	2(1H)-Pyrimidinone, 4-amino-1- -D-arabinofuranosyl	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	BRD-K33106058-001-07-7	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	BRD-K33106058-003-20-6	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	2(1H)-Pyrimidinone, 4-amino-1beta -D-arabinofuranosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Z1511499171	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	2(1H)-Pyrimidinone, 4-amino-1-beta -D-arabinofuranosyl-	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine, European Pharmacopoeia (EP) Reference Standard	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine, United States Pharmacopeia (USP) Reference Standard	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine beta-D-arabinofuranoside, crystalline, >=90% (HPLC)	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytosine beta-D-arabinofuranoside, Vetec(TM) reagent grade, 90%	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine, Pharmaceutical Secondary Standard; Certified Reference Material	PC_6253
C9H13N3O5	243.22	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one	PC_6253
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	33069-62-4	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	P88XT4IS4D	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Taxol	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Taxol A	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Yewtaxan	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Abraxane	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Plaxicel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Genaxol	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Ebetaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Genetaxyl	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Capxol	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paxene	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Onxol	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	OncoGel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Cyclopax	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Genexol	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Intaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Mitotax	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Pacliex	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paxceed	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	TaxAlbin	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	EmPAC	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ABI-007	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Onxal	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Zisu	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	LipoPac	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Taxus Liberte	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Taxus stent	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	EndoTAG 1	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	LEP-ETU	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Genexol-PM	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Tocosol Paclitaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NSC-125973	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(-)-Paclitaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Taxus	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ABI 007	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BMS 181339-01	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	MBT 0206	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel (Taxol)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NSC 125973	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BMS-181339-01	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	HSDB 6839	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DHP 107	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DHP-107	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DRG-0190	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NK 105	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NSC125973	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	QW 8184	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Liposome-entrapped paclitaxel easy-to-use	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel (taxus canadensis)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	CHEMBL428647	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	CHEBI:45863	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	nab-paclitaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	MBT-0206	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ABI-007 COMPONENT PACLITAXEL	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NK-105	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	QW-8184	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NCGC00164367-01	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Padexol	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	MFCD00869953	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Cynviloq	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Nanoxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Sindaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Xorane	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Cypher select	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Coroflex Please	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Taxus Express	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(NAB)-Paclitaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SMR000857385	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	EndoTAG-1	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SR-01000075350	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Abraxane I.V. Suspension	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	UNII-P88XT4IS4D	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Anzatax	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Infinnium	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Nanotaxel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclical	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Pacligel	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paxoral	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	CCRIS 8143	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel,(S)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel [USAN:USP:INN:BAN]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Abraxane (TN)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2alpha,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	[diacetoxy-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-dihydroxy-tetramethyl-oxo-[?]yl] benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	5?,20-Epoxy-1,7?-dihydroxy-9-oxotax-11-ene-2?,4,10?,13?-tetrayl 4,10-diacetate 2-benzoate 13-[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	CAS-33069-62-4	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	IG 001	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BMS-181339	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel-SSMM-VIP	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	P-SSMM-VIP	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [MI]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [INN]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [JAN]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Prestwick3_000155	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [HSDB]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [USAN]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DSSTox_CID_3413	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	TAXOL (TN)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [VANDF]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [MART.]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SCHEMBL3976	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	3PPC5TL76P	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DSSTox_RID_77016	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Nova-12005	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [USP-RS]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [WHO-DD]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, Taxus brevifolia	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BIDD:PXR0046	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DSSTox_GSID_23413	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BSPBio_000290	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	KBioGR_002509	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	KBioSS_002517	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel (JAN/USP/INN)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	MLS002154218	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	MLS002695976	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	OAS-PAC-100	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [EMA EPAR]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BPBio1_000320	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	GTPL2770	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	MEGxp0_001940	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Taxol (TN) (Bristol Meyers)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [GREEN BOOK]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DTXSID9023413	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [ORANGE BOOK]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ACon1_002231	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	KBio2_002509	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	KBio2_005077	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	KBio2_007645	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	KBio3_002987	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ANX-513	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DHP-208	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DTS-301	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [EP MONOGRAPH]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [USP IMPURITY]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SDP-013	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	cMAP_000068	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ORAXOL COMPONENT PACLITAXEL	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	HMS2090D07	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	HMS2095O12	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	HMS2231A16	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	HMS3712O12	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL [USP MONOGRAPH]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Abraxane (albumin-bound suspension)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ABRAXANE COMPONENT PACLITAXEL	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ACT02709	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	HY-B0015	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	MPI-5018	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Tox21_112107	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BDBM50001839	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NSC745099	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ZINC96006020	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	ABI 007 COMPONENT PACLITAXEL	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	AKOS007930675	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	AKOS015969673	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	AKOS025312303	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	CCG-220155	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	CS-1145	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	DB01229	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	GS-6554	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NSC-745099	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NCGC00164367-02	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NCGC00164367-03	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NCGC00164367-04	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NCGC00164367-05	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NCGC00164367-10	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, From Taxus brevifolia, 95%	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,6,9,11,12,12b-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one 6,12b-diacetate, 12-benzoate, 9-ester with (2R,3S)-N-benzoyl-3-phenylisoserine	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NAB-PACLITAXEL COMPONENT PACLITAXEL	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	NCI60_000601	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, from Taxus yannanensis, powder	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	PACLITAXEL IMPURITY L [EP IMPURITY]	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	AB00513812	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	D00491	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	EN300-117275	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	M02242	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	N88686	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	AB00513812-02	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	AB00513812-03	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	069P624	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, Antibiotic for Culture Media Use Only	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Q423762	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	7,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Q-201533	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SR-01000075350-1	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SR-01000075350-3	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SR-01000075350-6	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SR-01000075350-7	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	SR-01000075350-9	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BRD-K62008436-001-03-1	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BRD-K62008436-001-05-6	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BRD-K62008436-001-22-1	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, from semisynthetic (from Taxus sp.), >=97%	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, European Pharmacopoeia (EP) Reference Standard	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, from Taxus brevifolia, >=95% (HPLC), powder	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, United States Pharmacopeia (USP) Reference Standard	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	12-benzoate, 9-ester with (2R,3S)-N-benzoyl-3-phenylisoserine	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel, Pharmaceutical Secondary Standard; Certified Reference Material	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel natural for peak identification, European Pharmacopoeia (EP) Reference Standard	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro 4,6,9,11,12,12b-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano 5Hcyclodeca(3,4)benz(1,2-b)oxet-5-one 6,12b-diacetate,	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-Tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (alphaR,betaS)-beta-(benzoylamino)-alpha-hydroxybenzenepropanoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-(benzoylamino)-a-hydroxybenzenepropanoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl]benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	1203669-79-7	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	4,7beta,10beta-tris(acetyloxy)-13alpha-[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1-hydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	BENZENEPROPANOIC ACID, .BETA.-(BENZOYLAMINO)-.ALPHA.-HYDROXY-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-6,12B-BIS(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,11-DIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL ESTER, (.ALPHA.R,.BETA.S)-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, 6,12b-bis(acetyl oxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b,- dodecahydro-4,11- dihydroxy-4a,8,13,13-tetramethyl-5-oxo- 7,11-methano- 1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR- [2a.alpha.,4.beta.,4a.beta.,6.beta.,9.alpha.(alpha. R*,.beta.S*),11.alpha.,12.alpha.,12a.alpha.,12b.alpha.]]-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, b-(benzoylamino)-.alpha.-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,bS)-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha]]-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alpha-R*,beta-S*),11-alpha,12-alpha,12a-alpha, 12b-alpha))-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel semi-synthetic for peak identification, European Pharmacopoeia (EP) Reference Standard	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Paclitaxel semi-synthetic for system suitability, European Pharmacopoeia (EP) Reference Standard	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Tax-11-en-9-one, 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha- hexahydroxy-, 4,10-diacetate 2-benzoate, 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Tax-11-en-9-one, 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha-hexahydroxy-, 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine (8CI)	PC_36314
C47H51NO14	853.9	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N	Tax-11-en-9-one,20-epoxy-1,2.alpha.,4,7.beta., 10.beta.,13.alpha.- hexahydroxy-, 4,10-diacetate 2- benzoate,13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine	PC_36314
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	topotecan	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	123948-87-8	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Hycamptamine	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecan lactone	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Hycamptin	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Nogitecan	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecane	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecanum	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecane [INN-French]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecanum [INN-Latin]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-Topotecan	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	9-Dimethylaminomethyl-10-hydroxycamptothecin	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	CHEMBL84	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NSC609699	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Hycamtin (TN)	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NSC-641007	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	7M7YKX2N15	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Hycamtamine	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	CHEBI:63632	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SK-S-104864-A	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SKF-104864	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-((Dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	9-[(dimethylamino)methyl]-10-hydroxy-(4S)-camptothecin	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecan [INN:BAN]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, (4S)-	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SKF-104864-A	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SK&F-104864-A	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	TOPOTECANHYDROCHLORIDE	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	CHEMBL1607	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topophore C	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	TopoCED	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecan (BAN)	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-, (S)-	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SK&F-S-104864A	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NSC 609669	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SR-01000763672	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SK&F 104864 A	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	9-Dimethylaminomethyl-10-hydroxycamptothecin.	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	UNII-7M7YKX2N15	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	CCRIS 8163	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	HSDB 8213	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 10-((DIMETHYLAMINO)METHYL)-4-ETHYL-4,9-DIHYDROXY-, (4S)-	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, (S)-	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SKF-S 104864	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SKF 104864	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	TOPOTECAN [INN]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	TOPOTECAN [MI]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	TOPOTECAN [VANDF]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SCHEMBL3836	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	TOPOTECAN [WHO-DD]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCIStruc1_001659	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCIStruc2_001796	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	BSPBio_002348	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	TOPOTECAN [EMA EPAR]	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	cid_60699	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	GTPL7101	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	DTXSID3042685	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	EX-A834	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	HMS2090B20	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	HMS3715L03	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	FF-10850 (liposomal topotecan)	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	ZINC1611274	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	BDBM50008935	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	BDBM50034026	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	HSCI1_000228	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	MFCD00870670	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NSC641007	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	s9321	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AKOS015966792	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	CCG-221171	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	DB01030	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SK&F-104864	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SMP2_000312	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SMP2_000327	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCGC00014925-02	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCGC00014925-03	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCGC00014925-04	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCGC00014925-07	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCGC00014925-10	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCGC00014925-24	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCGC00178695-01	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]-quinoline-3,14(4H,12H)-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AC-11592	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AC-34812	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AS-75098	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	HY-13768	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	NCI60_004771	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	dimethylaminomethyl-ethyl-dihydroxy-[?]dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	T-161	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	dihydroxy(oxo)silane; dioxido(dioxo)molybdenum	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	A16815	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	D08618	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	EN300-117268	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AB00641837-09	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AB00641837-11	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AB00641837-12	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AB00641837-13	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AB00641837-14	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AB00641837_15	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	AB00641837_16	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	948T878	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	A805171	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	A892572	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Q419953	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SR-01000763672-3	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	SR-01000763672-4	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	BRD-K55696337-001-03-2	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	BRD-K55696337-003-08-7	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Z1501485359	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	Topotecan hydrochloride hydrate, >=98% (HPLC and enzymatic)	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	10-HYDROXY-9-((DIMETHYLAMINO)METHYL)-(20S)-CAMPTOTHECIN	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0(2),(1)(1).0?,?.0(1)?,(2)?]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(4-Ethyl-4,9-dihydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-10-ylmethyl)-dimethyl-ammonium	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(alphaS)-alpha,8-Dihydroxy-1(11H)-oxo-alpha-ethyl-2-(hydroxymethyl)-9-(dimethylaminomethyl)-5,11a-diaza-11aH-benzo[b]fluorene-3-acetic acid 3,2-lactone	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(alphaS)-alpha-Hydroxy-8-oxylato-1(11H)-oxo-alpha-ethyl-2-(hydroxymethyl)-9-(dimethylaminiomethyl)-5,11a-diaza-11aH-benzo[b]fluorene-3-acetic acid 3,2-lactone	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3'''',4'''':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride; Nogitecan hydrochloride; Hycamtin	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; hydrochloride	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-11-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	(S)-11-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; hydrochloride	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	10-dimethylaminomethyl-4-ethyl-4,9-dihydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'''',4'''':6,7]indolizino[1,2-b]quinoline-3,14-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Topotecan)	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione(Topotecan)	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; hydrochloride	PC_60700
C23H23N3O5	421.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N	1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, (4S)-	PC_60700
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	methotrexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	59-05-2	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Amethopterin	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Rheumatrex	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methylaminopterin	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Abitrexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Trexall	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Mexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metatrexan	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Hdmtx	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methylaminopterinum	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	MTX	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexatum	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Rasuvo	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	4-Amino-10-methylfolic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metotrexato	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Maxtrex	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NSC-740	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Mexate-Aq	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-Bismethylpteroylglutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Folex	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCI-C04671	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CL-14377	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Antifolan	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate Lpf	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Xatmep	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	133073-73-1	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Amethopterine	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Farmitrexat	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	EMT 25,299	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	L-Amethopterin	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CL 14377	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexat-Ebewe	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	TCMDC-125858	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Abitrexate (Methotrexate)	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	R 9985	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	YL5FZ2Y5U1	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotextrate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexat	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CHEMBL34259	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NSC740	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CHEBI:44185	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	ADX-2191	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CL14377	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-04	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NSC 740	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	4-amino-N(10)-methylpteroylglutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	A-Methopterin	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	DSSTox_CID_822	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	A-Methpterin	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Amethopterin L-	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Folex-Pfs	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	R-9985	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	DSSTox_RID_75810	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate, L-	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	DSSTox_GSID_20822	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	X 133	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metotressato [DCIT]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate, d-	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Fauldexato	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Medsatrexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methoblastin	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metotressato	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Brimexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Emthexat	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Emthexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Lantarel	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Lumexon	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metrotex	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Novatrex	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Otrexup	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Tremetex	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Trexeron	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Trixilem	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metex	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Texate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	MLS001401431	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexatum [INN-Latin]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metotrexato [INN-Spanish]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	[3H]methotrexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SMR000112001	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	[3H]-methotrexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	folic acid antagonist	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CCRIS 1109	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	4-Aminomethylpteroylglutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HSDB 3123	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SR-01000075682	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SMR000449324	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	EINECS 200-413-8	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	UNII-YL5FZ2Y5U1	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Metolate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Nordimet	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	AI3-25299	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Intradose-MTX	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	4-Amino-N(sup 10)-methylpteroylglutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	1dhi	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	1dhj	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	2drc	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	4ocx	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CAS-59-05-2	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	MPI-2505	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Prestwick_322	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Otrexup (TN)	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Xatmep (TN)	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	JYLAMVO	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	REDITREX	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Kyselina 4-amino-N(sup 10)-methylpteroylglutamova [Czech]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methylaminopterin; MTX	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate [USAN:USP:INN:BAN:JAN]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Spectrum_001836	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Tocris-1230	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	4kn0	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	WR-19039	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Prestwick0_000135	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Prestwick1_000135	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Prestwick2_000135	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Spectrum2_001077	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Spectrum3_000497	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Spectrum4_000616	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Spectrum5_000958	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate - Abitrexate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [MI]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-(p-(((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [INN]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [JAN]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	L(+)-Amethopterin hydrate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [HSDB]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [IARC]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [INCI]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [USAN]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamicacid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCIMech_000767	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SCHEMBL3711	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova [Czech]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [VANDF]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	BIDD:PXR0175	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Lopac0_000020	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KBioGR_001172	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KBioSS_002341	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [MART.]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Kyselina 4-amino-N(sup 10)-methylpteroylglutamova	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	MLS000049968	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	MLS002154208	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	DivK1c_000114	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [USP-RS]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [WHO-DD]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [WHO-IP]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SPBio_001094	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SPBio_002149	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	AMY235	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	cid_126941	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	cid_165528	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	GTPL4674	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	GTPL4815	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	DTXSID4020822	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SCHEMBL12421860	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SCHEMBL23111732	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	BDBM18050	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	BDBM66082	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS500F16	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KBio1_000114	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KBio2_002338	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KBio2_004906	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KBio2_007474	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KBio3_001493	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate (JP17/USP/INN)	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	g301	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NINDS_000114	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Bio1_000486	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Bio1_000975	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Bio1_001464	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS1568K12	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS2095K12	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS2233O18	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS3260C21	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS3414L09	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS3678L07	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HMS3712K12	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [ORANGE BOOK]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [EP MONOGRAPH]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [USP IMPURITY]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	ACT03341	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	APC-2002	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	BCP13701	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	MPI-5004	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	ZINC1529323	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATE [USP MONOGRAPH]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Tox21_110944	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Tox21_300269	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Tox21_500020	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CCG-35800	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	EMT-25299	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	METHOTREXATUM [WHO-IP LATIN]	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	MFCD00064370	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	s1210	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	STL535338	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	AKOS016340329	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Tox21_110944_1	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	CS-1732	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	DB00563	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	KS-5093	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	LP00020	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SDCCGSBI-0050009.P003	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	WR19039	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	IDI1_000114	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SMP2_000020	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(methyl)amino)benzamido)pentanedioic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-01	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-02	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-03	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-05	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-06	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-07	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-08	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-09	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-10	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-11	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-12	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-13	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-15	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00025060-16	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00254216-01	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	NCGC00260705-01	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	HY-14519	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	EU-0100020	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	G-301	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SW198601-3	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate 1.0 mg/ml in Dimethyl Sulfoxide	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	73M731	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	A10021	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	C01937	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	D00142	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	EN300-119523	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Q422232	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SR-01000597411	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	W-60383	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Q-201366	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SR-01000075682-1	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SR-01000075682-2	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SR-01000075682-6	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	SR-01000597411-1	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	W-105347	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	BRD-K59456551-001-09-3	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	BRD-K59456551-001-11-9	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	WLN: T66 BN DN GN JNJ CZ EZ H1N1&R DVMYVQ2VQ	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Z1521553982	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N,N,N,N-ETHYLENEDIAMINETETRA(METHYLENEPHOSPHONICACID)	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate, European Pharmacopoeia (EP) Reference Standard	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate, United States Pharmacopeia (USP) Reference Standard	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Glutamic acid,4-diamino-6-pteridinyl)methyl] methylamino]benzoyl]-, L-(+)-	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	L-Glutamic acid,4-diamino-6-pteridinyl)methyl]- methylamino]benzoyl]-	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)-(methyl)amino)benzamido)pentanedioic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,hydrate(9ci)	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate for peak identification, European Pharmacopoeia (EP) Reference Standard	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate for system suitability, European Pharmacopoeia (EP) Reference Standard	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	Methotrexate, Pharmaceutical Secondary Standard; Certified Reference Material	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	N-[4-[[(2,4-Diamino-6-pteridinyl)methyl] methylamino]benzoyl]-L-glutamic acid	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(2S)-2-((4-(((2,4-DIAMINOPTERIDIN-6-YL)METHYL)(METHYL)AMINO)BENZOYL)AMINO)PENTANEDIOIC ACID	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	(2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	102613-64-9	PC_126941
C20H22N8O5	454.4	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, hydrate (9CI)	PC_126941
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BI 2536	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	755038-02-9	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BI-2536	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BI2536	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	(R)-BI-2536	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	4LJG22T9C6	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	CHEMBL513909	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	4-{[(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8-Tetrahydropteridin-2-Yl]amino}-3-Methoxy-N-(1-Methylpiperidin-4-Yl)benzamide	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	Benzamide, 4-(((7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl)amino)-3-methoxy-N-(1-methyl-4-piperidinyl)-	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	US8598172, 5	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	UNII-4LJG22T9C6	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	R78	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	MLS006011060	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	SCHEMBL372489	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	GTPL5666	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BDBM25121	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	DTXSID20226442	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BI-2536 [WHO-DD]	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BCPP000342	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	AMY24180	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	EX-A2350	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	MFCD10565924	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	NSC755983	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	NSC799359	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	s1109	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	ZINC13986815	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BCP9000402	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	CCG-264824	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	CS-0071	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	EX-8611	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	NSC-755983	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	NSC-799359	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	NCGC00253438-01	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	AC-32625	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	AS-16191	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BP-23384	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	HY-50698	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	SMR004702852	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	SW218289-2	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	A19139	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	038B029	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	BRD-K64890080-001-01-3	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	Q27075215	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	((R)-4-[(8-Cyclopentyl-7-Et-5,6,7,8-tetrahydro-5-Me-6-oxo-2-pteridinyl)amino]-3-methoxy-N-(1-Me-4-piperidinyl)benzamide	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	(R)-4-((8-CYCLOPENTYL-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-6-OXO-2-PTERIDINYL)AMINO)-3-METHOXY-N-(1-METHYL-4-PIPERIDINYL)BENZAMIDE	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	(R)-4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide	PC_11364421
C28H39N7O3	521.7	CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	4-((R)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide	PC_11364421
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	irinotecan	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	97682-44-5	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(+)-Irinotecan	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Camptosar	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinotecanum	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Biotecan	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinotecanum [INN-Latin]	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinotecan lactone	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Campto	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinophore C	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinotecan mylan	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	CPT-11	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinotecan Free base	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinotecan (INN)	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	HSDB 7607	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	CHEMBL481	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	NSC-728073	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	CHEBI:80630	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	97682-44-5 (Free base)	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	IRINOTECAN [INN]	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Irinotecan [INN:BAN]	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	1,4'-Bipiperidine-1'-carboxylic acid (S)-4,11-diethyl-3,4,12,14- tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	CPT-11 hydrochloride;Camptothecin 11 hydrochloride	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Biotecan (TN)	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	MFCD00866307	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	1,4'-bipiperidine-1'-carboxylic acid (s)-4,11-diethyl-3,4,12,14- tetrahydro-4-hydroxy-3,14-dioxo-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	UNII-7673326042	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	IRINOTECAN [MI]	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	IRINOTECAN [HSDB]	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	IRINOTECAN [VANDF]	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	SCHEMBL4034	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	IRINOTECAN [WHO-DD]	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	IRINOTECAN; CPT-11	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	BSPBio_002346	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	GTPL6823	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	DTXSID1041051	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AMY4227	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	1u65	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	BCP02860	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	ZINC1612996	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	BDBM50128267	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	NSC728073	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	s1198	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AKOS015894969	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB07527	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AC-7469	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	BCP9000793	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	CS-1138	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	DB00762	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	NSC 728073	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	NCGC00178697-02	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	NCGC00178697-05	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12-14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, (S)-	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-4,12-dihydro-1H-pyrano[3,4-f]quinolino[2,3-a]indolizin-9-yl 4-piperidylpiperidinecarboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AS-14323	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	HY-16562	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	NCI60_005051	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	D08086	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	EN300-708800	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB00698464-07	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB00698464-09	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB00698464-10	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB00698464-11	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB00698464_12	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB00698464_13	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	AB00698464_14	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	682I445	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	A845740	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	Q412197	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	BRD-K08547377-003-02-4	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(diethyl-hydroxy-dioxo-[?]yl) 4-(1-piperidyl)piperidine-1-carboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	3-tert-Butoxycarbonylamino-5-(4-fluorophenyl)thiophene-2-carboxylicacid	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	2-methoxy-5-[2-(3-sulfophenyl)-5-(4-sulfophenyl)pyrylium-4-yl]benzenesulfonic acid	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-(piperidin-1-yl)piperidine-1-carboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3'',4'':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4''-BIPIPERIDINE-1''-CARBOXYLATE	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	(S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl[1,4'-bipiperidine]-1'-carboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	[1,4'']bipiperidinyl-1''-carboxylic acid (S)-4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester	PC_60838
C33H38N4O6	586.7	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	[1,4'']Bipiperidinyl-1''-carboxylic acid 4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester	PC_60838
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Palbociclib	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	571190-30-2	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD-0332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Ibrance	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD0332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD 0332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Palbociclib free base	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	UNII-G9ZF61LE7G	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD-332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	571190-30-2 (free base)	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	MFCD11840850	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	G9ZF61LE7G	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Palbociclib(PD0332991)	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD 332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	CHEBI:85993	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	LQQ	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	2euf	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Palbociclib [USAN]	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	571190-30-2 pound not827022-32-2	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Palbociclib [USAN:INN]	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	[d8]-Palbociclib	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Ibrance (TN)	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Palbociclib- Bio-X	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Kinome_3823	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Kinome_3824	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PALBOCICLIB [MI]	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8h-pyrido[2,3-d]pyrimidin-7-one hydrochloride	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PALBOCICLIB [INN]	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PALBOCICLIB [JAN]	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Palbociclib (JAN/USAN)	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PALBOCICLIB [WHO-DD]	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	SCHEMBL462630	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	BDBM6309	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	CHEMBL189963	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	GTPL7380	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD 0332991 (Palbociclib)	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	DTXSID40972590	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	EX-A408	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PALBOCICLIB [ORANGE BOOK]	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	2euf; PD 0332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	OTAVA-BB 1115529	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	BCPP000125	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	HMS3265M09	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	HMS3265M10	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	HMS3265N09	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	HMS3265N10	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	HMS3744G13	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	AMY14886	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	BCP09274	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	BCP18381	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	ZINC3938686	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NSC758247	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NSC772256	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NSC800815	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	s4482	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	AKOS022205241	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	BCP9001058	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	DB09073	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NSC-758247	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NSC-772256	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NSC-800815	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	SB40426	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Pyrido-[2,3-d]-pyrimidin-7-one 43	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NCGC00263129-01	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NCGC00263129-08	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NCGC00263129-21	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	NCGC00263129-22	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	AC-25485	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	AS-17016	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	BP166224	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	HY-50767	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	SY026143	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	A8153	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	FT-0697059	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	A14427	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	D10372	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	190P302	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	EN300-18531248	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD 0332991,PD0332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	PD-0332991, PD0332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	BRD-K51313569-001-01-1	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	P-0332991	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Q15269707	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	Z2216894329	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO(PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)-pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one	PC_5330286
C24H29N7O2	447.5	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one	PC_5330286
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Navitoclax	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	923564-51-6	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ABT-263	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ABT 263	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ABT263	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ABT-263 (Navitoclax)	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Navitoclax (ABT-263)	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	UNII-XKJ5VVK2WD	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	XKJ5VVK2WD	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	A-855071.0	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	CHEMBL443684	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	(R)-4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	(R)-4-(4-((2-(4-Chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)p	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({4-({(1R)-3-morpholin-4-yl-1-[(phenylsulfanyl)methyl]propyl}amino)-3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-(4-{[2-(4-Chlorophenyl)-5,5-Dimethylcyclohex-1-En-1-Yl]methyl}piperazin-1-Yl)-N-[(4-{[(2r)-4-(Morpholin-4-Yl)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-[(Trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Navitoclax [USAN]	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Navitoclax [USAN:INN]	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	navitoclaxum	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	C47H55ClF3N5O6S3	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((4-(((2R)-4-(MORPHOLIN-4-YL)-1-(PHENYLSULFANYL)BUTAN-2-YL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)BENZAMIDE	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ABT-263,Navitoclax	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NAVITOCLAX [MI]	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ABT-263 In Bulk	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Navitoclax, ABT-263	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Navitoclax; ABT-263	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NAVITOCLAX [INN]	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NAVITOCLAX [JAN]	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Navitoclax (USAN/INN)	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ABT-263 - Navitoclax	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NAVITOCLAX [WHO-DD]	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	MLS006011021	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	SCHEMBL522847	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	GTPL8319	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	DTXSID2042640	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	CHEBI:94128	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	EX-A055	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	CHEBI:131174	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	BDBM50270877	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	MFCD12756219	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NSC759659	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	s1001	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	AKOS015896297	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	ZINC150338726	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	DB12340	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NSC-759659	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	RG-7433	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NCGC00188344-01	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NCGC00188344-02	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NCGC00188344-03	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NCGC00188344-05	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	NCGC00188344-08	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-mo	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(1R)-3-morpholino-1-(phenylsulfanylmethyl)propyl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	AC-31055	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	AS-16690	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	HY-10087	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	SMR004702817	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-[4-[[2-(4-chlorophenyl)-5,5-dimet	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	SW218055-2	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	D09935	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	564A516	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	J-519525	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	BRD-K82746043-001-01-1	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	BRD-K82746043-001-02-9	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	BRD-K82746043-001-03-7	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	BRD-K82746043-001-04-5	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Q18002993	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	(R)-4-(4-((4-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-(4-(((2R)-4-(MORPHOLIN-4-YL)-1-(PHENYLSULFANYL)BUTAN-2-YL)AMINO)-3-(TRIFLUOROMETHANESULFONYL)BENZENESULFONYL)BENZAMIDE	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-(4-{[2-(4-Chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({4-({(1R)-3-(morpholin-4-yl)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide;ABT 263;Benzamide, 4-(4-((2-(4-chlorophenyl)-5,5-dime	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	4-{4-[(4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	BENZAMIDE, 4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)METHYL)-1- PIPERAZINYL)-N-((4-(((1R)-3-(4-MORPHOLINYL)-1-((PHENYLTHIO)METHYL)PROPYL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)-	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	Benzamide, 4-(4-((2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((4-(((1R)-3-(4-morpholinyl)-1-((phenylthio)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)-	PC_24978538
C47H55ClF3N5O6S3	974.6	CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	N-(4-{4-[2-(4-chlorophenyl)-5,5-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-benzoyl)-4-((r)-3-morpholin-4-yl-1-phenylsulfanylmethyl-propylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide	PC_24978538
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Selumetinib	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	606143-52-6	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD6244	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	ARRY-142886	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD 6244	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	5-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDE	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD-6244	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Selumetinib (AZD6244)	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	ARRY 142886	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	ARRY-886	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD6244 (Selumetinib)	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Koselugo	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	5-(4-broMo-2-chlorophenylaMino)-4-fluoro-N-(2-hydroxyethoxy)-1-Methyl-1H-benzo[d]iMidazole-6-carboxaMide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	CHEMBL1614701	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	CHEBI:90227	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6UH91I579U	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NSC741078	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NCGC00189073-01	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NCGC00189073-02	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	DSSTox_CID_28870	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	DSSTox_RID_83139	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	DSSTox_GSID_48944	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD 6244;5-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide;6-(4-bromo-2-chlorophenylamino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-3H-benzo[d]imidazole-5-carboxamide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	CAS-606143-52-6	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	ARRY142886	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Selumetinib [USAN:INN]	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	selumetinibum	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	UNII-6UH91I579U	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	3EW	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	SELUMETINIB [MI]	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	SELUMETINIB [INN]	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Selumetinib (USAN/INN)	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	SELUMETINIB [USAN]	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD6244 - Selumetinib	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	SELUMETINIB [WHO-DD]	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	SCHEMBL155456	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	GTPL5665	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Selumetinib, ARRY-142886	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	DTXSID3048944	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	EX-A020	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	BCPP000367	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3244G03	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3244G04	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3244H03	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3265K01	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3265K02	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3265L01	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3265L02	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HMS3654O03	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NSC 741O78	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	BCP01739	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Tox21_113362	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	BDBM50355497	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	MFCD11977472	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NSC800882	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	s1008	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	ZINC31773258	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AKOS015904255	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Tox21_113362_1	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	BCP9000354	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	CCG-264774	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	CS-0059	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	DB11689	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	EX-8621	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NSC-741078	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NSC-800882	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	SB14707	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	NCGC00189073-07	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-bromo-2-chloro-anilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-benzimidazole-5-carboxamide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AC-25059	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AM808016	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD6244,Selumetinib, ARRY-142886	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	HY-50706	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Selumetinib (ARRY142886/AZD6244)	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	AZD6244 (Selumetinib,ARRY-142886)	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	A8446	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	FT-0674552	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	SW202561-3	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	D09666	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	143A526	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	EN300-18166787	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Q-101405	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	Q7448840	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	BRD-K57080016-001-01-9	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	1H-BENZIMIDAZOLE-6-CARBOXAMIDE, 5-((4-BROMO-2-CHLOROPHENYL)AMINO)-4-FLUORO-N-(2- HYDROXYETHOXY)-1-METHYL-	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy -ethoxy)-amide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid(2-hydroxy-ethoxy)-amide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethoxy)-amide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid(2-hydroxyethoxy)-amide	PC_10127622
C17H15BrClFN4O3	457.7	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	6-(4-bromo-2chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide	PC_10127622
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	439081-18-2	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	850140-72-6	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Tovok	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BIBW2992	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Tomtovok	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BIBW 2992	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BIBW-2992	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib (BIBW2992)	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(S,E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib, Free Base	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BIBW2992 (Tovok)	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib free base	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	NSC-750691	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	CHEMBL1173655	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	CHEBI:61390	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-Butenamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	41UD74L59M	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	850140-72-6 (free base)	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	S1011	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(S)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide.	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, (2E)-	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib [USAN]	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib [USAN:INN]	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	afatinibum	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	C24H25ClFN5O3	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	UNII-41UD74L59M	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	MFCD12407405	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib- Bio-X	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl)-amide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(E)-4-Dimethylamino-but-2-enoic acid-[4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl]-amide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(E/Z)-Afatinib	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BIBW2992,Afatinib	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib (USAN/INN)	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AFATINIB [INN]	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AFATINIB [MI]	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AFATINIB [VANDF]	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AFATINIB [MART.]	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BIBW2992 - Afatinib	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AFATINIB [WHO-DD]	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	MLS006010000	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	GTPL5667	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	CHEBI:94698	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	DTXSID20893451	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	EX-A065	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BCPP000338	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BCP01779	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	ZINC3976838	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BDBM50322823	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	NSC750691	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	NSC799327	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Afatinib(cis-trans isomerismtautomers)	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AKOS015850681	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AKOS015904219	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AKOS025149636	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BCP9000407	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	CCG-264776	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	DB08916	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	EX-8656	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	NSC-799327	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	NCGC00185000-01	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-2-butenamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	2-butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)- 6-quinazolinyl)-4-(dimethylamino)-, (2E)-	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AC-26079	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AC-27018	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AM808098	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AS-80916	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BA164141	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	DS-14172	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	SMR004701084	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	CS-0020030	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	SW219248-1	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	A15572	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	D09724	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	AB01565886_02	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	EN300-6487482	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	081B182	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	EN300-19625328	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	SR-01000941576	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	J-500781	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	J-502300	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Q4688818	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	SR-01000941576-1	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	BRD-K66175015-001-01-7	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	Z2568727518	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(2E)-N-[4-(3-Chloro-4-fluoroanilino)-7-[[(3S)-oxolane-3-yl]oxy]quinazoline-6-yl]-4-(dimethylamino)-2-buteneamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6yl)-amide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_10184653
C24H25ClFN5O3	485.9	CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide	PC_10184653
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	877399-52-5	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Xalkori	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF-02341066	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	(R)-crizotinib	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF-2341066	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF 2341066	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib (PF-02341066)	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	(R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF 02341066	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF2341066	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CHEMBL601719	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib (PF-2341066)	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CHEBI:64310	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	877399-52-5 (free base)	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	53AH36668S	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC-756645	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	2-Pyridinamine, 3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1H-pyrazol-4-yl)-	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1-Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-[1-(4-PIPERIDINYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-AMINE	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	(R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Xalkori (TN)	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib [USAN]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib [USAN:INN]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	crizotinibum	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	UNII-53AH36668S	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	VGH	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib- Bio-X	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CRIZOTINIB [MI]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CRIZOTINIB [INN]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CRIZOTINIB [JAN]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF02341066	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CRIZOTINIB [VANDF]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CRIZOTINIB [MART.]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CRIZOTINIB [WHO-DD]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	SCHEMBL93829	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF-2341066,Crizotinib	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib (JAN/USAN/INN)	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	GTPL4903	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CRIZOTINIB [ORANGE BOOK]	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Crizotinib, >=98% (HPLC)	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	PF-2341066 - Crizotinib	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	EX-A096	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	BCPP000116	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	DTXSID701009329	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	AMY10313	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	BDBM50306682	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	MFCD12407409	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC749005	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC749769	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC800080	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	ZINC35902489	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	AKOS015901233	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	AKOS015995207	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	CCG-264803	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	DB08865	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	GS-6178	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC 756645	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC-749005	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC-749769	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NSC-800080	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NCGC00250400-01	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NCGC00250400-02	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NCGC00250400-09	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	NCGC00250400-12	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	BC164334	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	HY-50878	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	BB 0261738	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	SW202555-3	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	D09731	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	399P525	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	J-510370	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Q5186964	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	BRD-K78431006-001-01-1	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	BRD-K78431006-001-03-7	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	877399-52-5, 877399-53-6 (acetate)	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	Z2065417924	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-(2,6-dichloro-3-fluorobenzyloxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	(R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-am ine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy-5-1-(4-piperidinyl)-1H-pyrazol-4-yl-2-Pyridinamine	PC_11626560
C21H22Cl2FN5O	450.3	CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N	3-[(R)-1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine	PC_11626560
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Tanespimycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	75747-14-7	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-AAG	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-(Allylamino)-17-demethoxygeldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17AAG	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NSC-330507	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-(Allylamino)geldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	KOS-953	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-Allylaminogeldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Cp 127374	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NSC 330507	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-Demethoxy-17-allylamino geldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	BMS-722782	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Tanespimycin [USAN]	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CHEBI:64153	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-AAG (Tanespimycin)	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	4GY0AVT3L4	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-demethoxy-17-(2-propenylamino)geldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CNF1010	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CNF-1010	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Geldanamycin, 17-demethoxy-17-(2-propenylamino)-	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Tanespimycin (USAN)	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NCGC00163424-01	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-N-allylamino-17-demethoxygeldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NSC330507	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	[(3S,5S,6R,7S,8E,10R,11S,12E,14E)-6-Hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-8,12,14,18,21-pentaen-10-yl] carbamate	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Tanespimycin [USAN:INN]	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	UNII-4GY0AVT3L4	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	KOS 953	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	tanespimycina	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	tanespimycine	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	tanespimycinum	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CCRIS 9401	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-allylamino-17-demethoxygeldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-Demethoxy-17-allylaminogeldanamycin	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	MFCD04973892	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Tanespimycin (17-AAG)	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Geldanamycin, 17-(Allylamino)-17-demethoxy-	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	TANESPIMYCIN [INN]	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	DSSTox_CID_26352	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	DSSTox_RID_81555	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	DSSTox_GSID_46352	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	BSPBio_001434	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	TANESPIMYCIN [WHO-DD]	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	SCHEMBL2604976	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	DTXSID5046352	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	SCHEMBL13037468	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	SCHEMBL16226295	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CHEBI:94756	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CNF-101	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	HMS1361H16	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	HMS1791H16	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	HMS1989H16	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	HMS3402H16	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	EX-A4668	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NSC-330507D	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Tox21_112054	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	BDBM50008057	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	s1141	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	AKOS024456643	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	ZINC100014666	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	BCP9000064	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CCG-208039	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CS-0161	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	DB05134	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NSC-704057	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	IDI1_033904	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NCGC00163424-02	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NCGC00163424-04	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NCGC00163424-05	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NCGC00163424-06	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	NCGC00163424-07	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Allylamino-17-demethoxygeldanamycin, 17-	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	HY-10211	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Geldanamycin, des-O-methyl-17-allylamino-	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CAS-75747-14-7	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	CP-127374	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	Geldanamycin, 17-allylamino-17-demethoxy-	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-ALLYLAMINO 17-DEMETHOXYGELDANAMYCIN	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	C76418	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	D06650	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	747A147	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	A1-50460	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	J-504153	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	BRD-K81473043-001-03-9	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	BRD-K81473043-001-08-8	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	17-(Allylamino)-17-demethoxygeldanamycin, >=98% (HPLC), solid	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16- tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo(16.3.1)docosa- 1(21),4,6,10,18-penten-9-yl carbamate	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-penten-9-yl carbamate	PC_6505803
C31H43N3O8	585.7	C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(allylamino)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate	PC_6505803
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	Serdemetan	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	881202-45-5	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	N1-(2-(1H-Indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	JNJ-26854165	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	JNJ-26854165 (Serdemetan)	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	JNJ 26854165	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	Serdemetan [INN]	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	JNJ26854165	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	ID6YB4W3V8	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	N-(2-(1H-Indol-3-yl)ethyl)-n'-(pyridin-4-yl)benzene-1,4-diamine	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	n-(2-(1h-indol-3-yl)ethyl)-n'-(4-pyridinyl)-1,4-benzenediamine	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	N-[2-(1H-INDOL-3-YL)ETHYL]-N'-(4-PYRIDINYL)-1,4-BENZENEDIAMINE	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	881202-16-0	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	UNII-ID6YB4W3V8	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	SERDEMETAN [WHO-DD]	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	MLS006011022	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	SCHEMBL3012498	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	CHEMBL2137530	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	DTXSID30236830	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	EX-A267	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	HMS3654A16	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	JNJ 26854165 (Serdemetan)	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	BCP02124	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	1,4-Benzenediamine, N-[2-(1H-indol-3-yl)ethyl]-N'-4-pyridinyl-	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	MFCD16620518	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	s1172	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	ZINC15965745	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	AKOS016006774	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	CCG-264846	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	CS-0166	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	DB12027	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	NCGC00263171-01	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	NCGC00263171-08	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	AC-33109	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	AS-56263	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	HY-12025	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	SMR004702818	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	FT-0689750	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	SW218152-2	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	202I455	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	A862315	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	J-522790	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	Q27280666	PC_11609586
C21H20N4	328.4	c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	JNJ 26854165;N1-(2-(1H-indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine;JNJ-26854165	PC_11609586
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	192185-72-1	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Zarnestra	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	R115777	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	R-115777	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib (Zarnestra)	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	(R)-6-(Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	IND 58359	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	R-11577	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	NSC-702818	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	(R)-6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	MAT637500A	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib [USAN]	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	R115777;IND 58359	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	JAN	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib (USAN/INN)	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib [USAN:INN]	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	tipifarnibum	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarneb	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	UNII-MAT637500A	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	CCRIS 9329	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	(R)-6-[Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib - Zarnestra	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	TIPIFARNIB [MI]	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	(R)-TIPIFARNIB	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	TIPIFARNIB [INN]	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	D03720	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	SCHEMBL8097	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	TIPIFARNIB [MART.]	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib (R115777)	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	TIPIFARNIB [WHO-DD]	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	MLS006011105	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	GTPL8025	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	DTXSID5041140	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	SCHEMBL21544535	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib, >=98% (HPLC)	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	R115777; TIPIFARNIB	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	1x81	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	CHEBI:141969	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	BCPP000044	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	HMS3654B10	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	HMS3748E21	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	6-[(R)-Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl}-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	AMY20627	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	BCP02262	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	EX-A2346	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	BDBM50370385	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	NSC760444	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	s1453	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	ZINC24809155	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	AKOS027326864	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	CCG-264893	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	CS-0475	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	DB04960	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	NSC-760444	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	SB16693	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	NCGC00250406-01	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	NCGC00250406-02	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	2 (1H))-Quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-, (+)-	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	2 (1H))-quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-,(+)-	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	2(1H)-Quinolinone,6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	AC-33171	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	BS-15758	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	HY-10502	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	SMR002530065	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Tipifarnib; IND 58359; R115777	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	SW219749-1	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	D70631	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	(R)-(+)-R115777	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	185T721	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	Q-102509	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	BRD-K62965247-001-01-5	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	IND 58359;R115777;IND-58359;IND58359;R-115777;R 115777	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	(+)-(r)-6-[amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1h)-quinolinone	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	2 (1H))-Quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-	PC_159324
C27H22Cl2N4O	489.4	Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N	2(1H)-Quinolinone, 6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-	PC_159324
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	PONATINIB	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	943319-70-8	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AP24534	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Ponatinib (AP24534)	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AP 24534	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AP-24534	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	CHEMBL1171837	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	CHEBI:78543	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	943319-70-8 (free base)	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	4340891KFS	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(Imidazo[1,2-B]pyridazin-3-Ylethynyl)-4-Methyl-N-{4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl}benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methyl-1- piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(2-(Imidazo(1,2-b)pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1- yl)methyl)-3-(trifluoromethyl)phenyl)benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide.	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Ponatinib [USAN]	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Ponatinib [USAN:INN]	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	ponatinibum	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	UNII-4340891KFS	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	HSDB 8184	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	0LI	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(2-{imidazo[1,2-b]pyridazin-3-yl}ethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Ponatinib, Free Base	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AP24534,Ponatinib	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	PONATINIB [INN]	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	PONATINIB [MI]	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Ponatinib (USAN/INN)	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	PONATINIB [VANDF]	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AP24534 - Ponatinib	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	PONATINIB [WHO-DD]	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	MLS006010166	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	SCHEMBL589260	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	GTPL5890	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	DTXSID50241426	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	EX-A067	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	BCPP000397	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	HMS3295I23	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	HMS3654H16	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	BCP02037	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	BDBM50322535	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	MFCD17215203	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NSC758487	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NSC800855	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	ZINC36701290	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AKOS015995214	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AM81261	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	BCP9000307	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	CCG-264900	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	CS-0204	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	DB08901	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NSC-758487	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NSC-800855	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	PB34916	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NCGC00263152-01	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NCGC00263152-02	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NCGC00263152-12	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	NCGC00263152-14	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AC-26973	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AS-19133	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	HY-12047	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	SMR004701274	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	FT-0660376	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	S1490	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	SW218091-2	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	A24930	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	D09950	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	AB01565847_03	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	EN300-6733072	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Q198728	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	BRD-K44227013-001-02-3	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Z1828098700	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-benzamide	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	BENZAMIDE, 3-(2-IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-[4-[(4-METHYL-1-PIPERAZINYL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL]-	PC_24826799
C29H27F3N6O	532.6	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	Ponatinib;3-(2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide	PC_24826799
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	Motesanib	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	453562-69-1	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AMG 706	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AMG-706	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-dimethylindolin-6-yl)-2-(pyridin-4-ylmethylamino)nicotinamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AMG706	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	Motesanib [USAN]	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(2,3-Dihydro-3,3-dimethyl-1H-indol-6-yl)-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	U1JK633AYI	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	CHEBI:51098	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	Motesanib (USAN)	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	453562-69-1 (free base)	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	3-Pyridinecarboxamide, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4- ylmethyl)amino]pyridine-3-carboxamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	Motesanib [USAN:INN]	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	UNII-U1JK633AYI	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-Dimethyl-2,3-dihydro-1H-indol-6-yl)-2-((pyridin-4-ylmethyl)amino)pyridine-3-carboxamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AMG706/ Motesanib	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	MOTESANIB [INN]	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	MOTESANIB [MI]	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	Motesanib (AMG-706)	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	MOTESANIB [MART.]	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	MOTESANIB [WHO-DD]	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	SCHEMBL187470	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	CHEMBL572881	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	GTPL5660	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	BDBM24773	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	DTXSID10196488	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	EX-A487	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	cid_11667893	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	BCPP000407	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HMS3244A09	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HMS3244A10	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HMS3244B09	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HMS3265G19	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HMS3265G20	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HMS3265H19	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HMS3265H20	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	BCP01982	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AMG 706; AMG-706	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	MFCD10567689	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	NSC760843	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	NSC800801	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	s5793	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	ZINC18710082	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AKOS005146333	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	BCP9000289	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	DB05575	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	EX-8571	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	NSC-760843	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	NSC-800801	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	SB14621	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	NCGC00263205-01	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	NCGC00263205-06	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AC-32664	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	AS-16212	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	HY-10228	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	FT-0706483	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	A19395	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	D06678	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	562M691	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	J-522983	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	Q6917202	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	BRD-K99616396-316-01-2	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)nicotinamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide	PC_11667893
C22H23N5O	373.5	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	N-(3,3-DIMETHYL-2,3-DIHYDRO-1H-INDOL-6-YL)-2-((PYRIDIN-4-YLMETHYL)AMINO)NICOTINAMIDE	PC_11667893
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Doramapimod	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	285983-48-4	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB-796	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB 796	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB 796 (Doramapimod)	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB796	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB-796 BS	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB 796 BS	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	HO1A8B3YVV	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	CHEMBL103667	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	CHEBI:40953	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	NCGC00241104-01	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DSSTox_CID_28883	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DSSTox_RID_83151	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DSSTox_GSID_48957	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea.	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	B96	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-(4-(2-(4-morpholinyl)ethoxy)-1-naphthalenyl)-	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	CAS-285983-48-4	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	UNII-HO1A8B3YVV	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Doramapimod (USAN/INN)	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Doramapimod [USAN:INN]	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]-	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Kinome_2137	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1kv2	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB 796,Doramapimod	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	diaryl urea compound 10	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DORAMAPIMOD [INN]	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DORAMAPIMOD [USAN]	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Doramapimod (BIRB 796)	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Doramapimod (BIRB-796)	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl)urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB 796BS	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DORAMAPIMOD [WHO-DD]	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	MLS006010153	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	SCHEMBL129721	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIBR-796	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	cid_156422	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	GTPL5668	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DTXSID2048957	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BDBM13533	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB 0796	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB-0796	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BCPP000333	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	HMS3295M15	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	HMS3655C07	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	HMS3747G11	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	ALBB-035131	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BCP01896	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BIRB-796, 3	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	EX-A4530	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Tox21_113386	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	MFCD09752957	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	NSC785337	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	s1574	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	ZINC24044436	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	AKOS005256489	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Tox21_113386_1	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BCP9000416	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	CCG-264915	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	CS-0219	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	DB03044	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	NSC-785337	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	SB16634	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	NCGC00241104-02	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	NCGC00241104-07	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	AC-24379	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	AS-19375	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	HY-10320	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	SMR004458704	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	US8933228, BIRB 796	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	FT-0667779	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	SW219700-1	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	D03736	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	A819503	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	SR-00000002531	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Q-101419	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	SR-00000002531-1	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	BRD-K74065929-001-01-5	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Q27077098	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	p38 MAP Kinase Inhibitor X, BIRB 796 - CAS 285983-48-4	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=C2C=CC=CC2=C(OCCN2CCOCC2)C=C1)C(C)(C)C	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	Doramapimod1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]- N'-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]-urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea	PC_156422
C31H37N5O3	527.7	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea	PC_156422
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	Bryostatin 1	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	83314-01-6	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	Bryostatin-1	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	NSC 339555	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	CHEMBL449158	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	CHEBI:88353	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	37O2X55Y9E	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	BRYOSTATIN	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	NSC-339555	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	2,4-Octadienoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-((1R)-1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (2E,4E)-	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	UNII-37O2X55Y9E	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	NCGC00181150-01	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	BRN 4349157	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	BRYOSTATIN 1 [MI]	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	DSSTox_CID_26876	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	DSSTox_RID_81981	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	DSSTox_GSID_46876	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	SCHEMBL182960	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	BRYOSTATIN 1 [WHO-DD]	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	DTXSID8046876	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	Bryostatin 1, >=99%, solid	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	Tox21_112754	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	BDBM50258529	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	BMY-45618	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	ZINC169357315	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	Bryostatin 1 - CAS 83314-01-6	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	(1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-25-(Acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl 2,4-octadienoate	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	2,4-Octadienoic acid, 25-(acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	CAS-83314-01-6	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	HY-105231	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	CS-0025440	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	Q27095907	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1(3,7).1(11,15)]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(Acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl-(2E, 4E)-2,4-octadienoic acid ester	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-TVIXENOKSA-N	[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate	PC_5280757
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-MEBWOBETSA-N	Bryostatin 1	PC_22524140
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-MEBWOBETSA-N	83314-01-6	PC_22524140
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-MEBWOBETSA-N	CHEBI:95063	PC_22524140
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-MEBWOBETSA-N	AKOS024457069	PC_22524140
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-MEBWOBETSA-N	ZINC169289401	PC_22524140
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-UHFFFAOYSA-N	Bryostatin 1	PC_433902
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-UHFFFAOYSA-N	83314-01-6	PC_433902
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-UHFFFAOYSA-N	FT-0774861	PC_433902
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-UHFFFAOYSA-N	[25-Acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] octa-2,4-dienoate	PC_433902
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-SGXMQRQHSA-N	Bryostatin 1	PC_6473739
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-SGXMQRQHSA-N	Bryostatin-1	PC_6473739
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-SGXMQRQHSA-N	83314-01-6	PC_6473739
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-SGXMQRQHSA-N	NSC339555	PC_6473739
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-SGXMQRQHSA-N	[(1S,3S,5Z,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate	PC_6473739
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-SGXMQRQHSA-N	[(Z,E)-acetoxy-trihydroxy-[(1R)-1-hydroxyethyl]-bis(2-methoxy-2-oxo-ethylidene)-tetramethyl-oxo-[?]yl] (2E,4E)-octa-2,4-dienoate	PC_6473739
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-YCVQJEHTSA-N	Bryostatins	PC_44277532
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-YCVQJEHTSA-N	Bryostatin 1	PC_44277532
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-YCVQJEHTSA-N	CHEMBL281926	PC_44277532
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-YCVQJEHTSA-N	C05149	PC_44277532
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-YCVQJEHTSA-N	83314-01-6	PC_44277532
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-VUHCRTQMSA-N	Bryostatin 1	PC_5458769
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-VUHCRTQMSA-N	83314-01-6	PC_5458769
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-VUHCRTQMSA-N	NSC339555	PC_5458769
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-VUHCRTQMSA-N	[(1S,3S,5E,8E,13E,17R,21R,23R,25S)-25-Acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate	PC_5458769
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4C/C(=C/C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N	Bryostatin 1	PC_5477635
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4C/C(=C/C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N	NSC339555	PC_5477635
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4C/C(=C/C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N	83314-01-6	PC_5477635
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4C/C(=C/C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N	CHEMBL4296873	PC_5477635
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4C/C(=C/C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N	SCHEMBL22084841	PC_5477635
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4C/C(=C/C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N	B705008K112	PC_5477635
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](CC3CC(C([C@@](O3)(CC4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-BXOMOELISA-N	Bryostatin 1	PC_6435419
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](CC3CC(C([C@@](O3)(CC4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-BXOMOELISA-N	BRYOSTATIN	PC_6435419
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](CC3CC(C([C@@](O3)(CC4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-BXOMOELISA-N	83314-01-6	PC_6435419
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](CC3CC(C([C@@](O3)(CC4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-BXOMOELISA-N	[(1S,5Z,7R,8E,11S,12S,13E,15S,21R)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate	PC_6435419
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C([C@@](O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-JYXSRQLPSA-N	Bryostatin 1	PC_146159872
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C([C@@](O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-JYXSRQLPSA-N	83314-01-6	PC_146159872
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-ZVHDYJKJSA-N	Bryostatin 1	PC_14078847
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-ZVHDYJKJSA-N	Bryostatin-1	PC_14078847
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-ZVHDYJKJSA-N	[(1S,3S,5E,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-Acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate	PC_14078847
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)C=CC([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-JGGKDZLHSA-N	Bryostatin 1	PC_124918436
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)C=CC([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-JGGKDZLHSA-N	83314-01-6	PC_124918436
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)C=CC([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O	MJQUEDHRCUIRLF-JGGKDZLHSA-N	ZINC253687865	PC_124918436
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@@H]1/C(=C/C(=O)OC)/C[C@@H]2C[C@H](OC(=O)C[C@H](C[C@H]3C[C@H](C([C@](O3)(C[C@H]4C/C(=C/C(=O)OC)/C[C@H](O4)/C=C\C([C@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@H](C)O	MJQUEDHRCUIRLF-IBMAKELESA-N	Bryostatin 1	PC_133635911
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C/C=C/C(=O)O[C@@H]1/C(=C/C(=O)OC)/C[C@@H]2C[C@H](OC(=O)C[C@H](C[C@H]3C[C@H](C([C@](O3)(C[C@H]4C/C(=C/C(=O)OC)/C[C@H](O4)/C=C\C([C@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@H](C)O	MJQUEDHRCUIRLF-IBMAKELESA-N	83314-01-6	PC_133635911
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C\C=C\C(=O)O[C@@H]1/C(=C/C(=O)OC)/C[C@@H]2C[C@H](OC(=O)C[C@H](C[C@H]3C[C@H](C([C@](O3)(C[C@H]4C/C(=C\C(=O)OC)/C[C@H](O4)C=CC([C@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-DDYLLZMUSA-N	Bryostatin 1	PC_134817197
C47H68O17	905.0	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3	CCC/C=C\C=C\C(=O)O[C@@H]1/C(=C/C(=O)OC)/C[C@@H]2C[C@H](OC(=O)C[C@H](C[C@H]3C[C@H](C([C@](O3)(C[C@H]4C/C(=C\C(=O)OC)/C[C@H](O4)C=CC([C@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-DDYLLZMUSA-N	83314-01-6	PC_134817197
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BMS-754807	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	1001350-96-4	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BMS 754807	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BMS754807	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	UNII-W9E3353E8J	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	CHEMBL575448	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	namide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	CHEBI:88339	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	W9E3353E8J	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	(S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	(S)-1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)-N-(6-FLUOROPYRIDIN-3-YL)-2-METHYLPYRROLIDINE-2-CARBOXAMIDE.	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	2-Pyrrolidinecarboxamide, 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methyl-, (2S)-;2-Pyrrolidinecarboxamide, 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methyl-, (2S)-	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	(2S)-1-[4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridyl)-2-methyl-pyrrolidine-2-car boxamide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	(S)-1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-N-(6-FLUOROPYRIDIN-3-YL)-2-METHYLPYRROLIDINE-2-CARBOXAMIDE	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	MLS006011175	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	GTPL7952	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	SCHEMBL1810808	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	EX-A711	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BDBM107000	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	HMS3740K13	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BCP01926	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BDBM50299148	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	MFCD18633202	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	NSC758243	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	NSC799364	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	s1124	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	ZINC43203317	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BMS 754807 [WHO-DD]	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	AKOS015949394	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BCP9000431	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	CCG-269352	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	CS-0608	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	DB15399	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	NSC-758243	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	NSC-799364	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	SB21702	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	NCGC00346453-01	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	NCGC00346453-03	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	AC-28421	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	AS-16697	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	HY-10200	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	SMR004702944	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BMS-754807, >=98% (HPLC)	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	US8592579, 104	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	J-501009	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	W-204348	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BRD-K13049116-001-02-4	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BRD-K13049116-001-05-7	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	Q27075369	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	BMS-754807,CAS:1001350-96-4	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	(2S)-1-[4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methyl-2-pyrrolidinecarboxamide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	(S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	2-Pyrrolidinecarboxamide, 1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo(2,1-f)(1,2,4)triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2- methyl-, (2S)-	PC_24785538
C23H24FN9O	461.5	CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	2-PYRROLIDINECARBOXAMIDE, 1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-N-(6-FLUORO-3-PYRIDINYL)-2-METHYL-, (2S)-	PC_24785538
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Refametinib	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	923032-37-5	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	RDEA119	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY 869766	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	RDEA 119	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Refametinib [INN]	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	RDEA-119	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY-869766	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY 8697661	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	(S)-N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	JPX07AFM0N	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Refametinib (RDEA119, Bay 86-9766)	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY86-9766	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY-86-9766	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY-8697661	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY 86-97661	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	UNII-JPX07AFM0N	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY 86-9766	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Refametinib (RDEA119)	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	3e8n	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Refametinib; RDEA119	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	REFAMETINIB [WHO-DD]	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	SCHEMBL345333	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	GTPL7942	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Refametinib (BAY86-9766)	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	CHEMBL1236682	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	DTXSID40238961	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BDBM520650	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	EX-A2481	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	MFCD18633256	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	NSC800864	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	s1089	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	ZINC39187987	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	AKOS025401896	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	CCG-270103	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	CS-1818	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	DB06309	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	NSC-800864	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY 86-9766;RDEA119	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	NCGC00188380-01	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	NCGC00188380-02	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	NCGC00188380-03	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	AC-26962	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	AS-16994	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Cyclopropanesulfonamide, N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-((2S)-2,3-dihydroxypropyl)-	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	HY-14691	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	SW218136-2	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	J3.661.482J	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	F51934	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	US11147816, Refametinib (RDEA119, Bay	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	Q27088526	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	BAY 869766;BAY 86-97661;RDEA-119;RDEA119	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	(S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	923032-36-4	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	CYCLOPROPANESULFONAMIDE, N-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)-6-METHOXYPHENYL)-1-((2S)-2,3-DIHYDROXYPROPYL0-	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide	PC_44182295
C19H20F3IN2O5S	572.3	COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	VRA	PC_44182295
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	641571-10-0	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Tasigna	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AMN107	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AMN 107	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AMN-107	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib free base	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib (AMN-107)	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	MFCD09833716	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NSC-747599	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	CHEMBL255863	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	CHEBI:52172	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	641571-10-0 (free base)	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NSC747599	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	F41401512X	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-{(4-(pyridin-3-yl)pyrimidin-2-yl)amino}benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib & its intermediates	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	nilotinibum	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib(AMN-107)	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib,AMN107,Tasigna;4-methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	SMR002544680	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib [USAN]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib [USAN:INN:BAN]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HSDB 7842	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	UNII-F41401512X	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib- Bio-X	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO)BENZAMIDE	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	BENZAMIDE, 4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)-	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	3gp0	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [INN]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [MI]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Nilotinib (USAN/INN)	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [HSDB]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [VANDF]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [MART.]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	EC 700-544-5	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [USP-RS]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [WHO-DD]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	SCHEMBL7901	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NILOTINIB [EMA EPAR]	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	MLS003915611	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	MLS006010160	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	GTPL5697	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	DTXSID5042663	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	BCPP000149	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HMS3244A13	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HMS3244A14	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HMS3244B13	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HMS3295A23	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HMS3654M07	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HMS3748E11	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	BCP01367	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	ZINC6716957	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AC-647	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	BDBM50237710	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NSC800804	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	s1033	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AKOS005063561	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	BCP9000989	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	CCG-264784	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	CS-0102	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	DB04868	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NSC 747599	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NSC-800804	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	SB17315	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NCGC00183285-01	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NCGC00183285-03	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NCGC00183285-04	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NCGC00183285-09	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	NCGC00183285-15	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-N-[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridyl)-2-pyrimidyl]amino]benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AS-16214	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	BN164654	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	HY-10159	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	N-(3-(3-(1H-Imidazolyl)propoxy)phenyl)-4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	SY024415	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AM20090651	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	FT-0654026	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	SW218083-2	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	EC-000.2344	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	D08953	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	N-8207	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AB01273978-01	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AB01273978-02	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	AB01273978_03	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	EN300-7381984	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	571N100	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	A834657	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Q412327	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	SR-01000931150	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Q-101348	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	SR-01000931150-2	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	BRD-K81528515-001-04-7	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Z1741976994	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	1353151-22-0	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino] benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[5-(3-pyridyl)pyrimidin-2-yl]amino]benzamide	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-	PC_644241
C28H22F3N7O	529.5	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI)	PC_644241
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetanib	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	443913-73-3	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Zactima	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	ZD6474	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Caprelsa	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	vandetanib (zd6474)	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	ZD-6474	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	ZD 6474	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	GNF-PF-2188	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	ZD-64	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AZD-6474	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC-744325	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC-760766	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	CHEMBL24828	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	YO460OQ37K	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	CHEBI:49960	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	MFCD07772346	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetanib [INN]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NCGC00167513-01	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazoline	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	DSSTox_CID_26681	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	DSSTox_RID_81816	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	DSSTox_GSID_46681	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-yl)methoxyquinazoline	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	(4-Bromo-2-fluoro-phenyl)-[6-methoxy-7-(1-methyl-piperidin-4-ylmethoxy)-quinazolin-4-yl]-amine	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	CAS-443913-73-3	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	UNII-YO460OQ37K	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetinib	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	HSDB 8198	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	2ivu	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetanib [USAN:INN:BAN:JAN]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Caprelsa (TN)	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetanib- Bio-X	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	CH 331	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	CH-331	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetanib (Zactima)	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	338992-00-0	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	DMPC Cyclic Urea 1	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Kinome_3316	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	VANDETANIB [MI]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	VANDETANIB [JAN]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	VANDETANIB [USAN]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	VANDETANIB [VANDF]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	BDBM21	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SCHEMBL9044	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	VANDETANIB [MART.]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	VANDETANIB [WHO-DD]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	MLS006011672	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetanib (JAN/USAN/INN)	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AMY599	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	F9995-0087	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	GTPL5717	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	DTXSID1046681	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SCHEMBL21067679	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	VANDETANIB [ORANGE BOOK]	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	cid_3081361	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	EX-A422	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	BCPP000023	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	HMS3244K03	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	HMS3244K04	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	HMS3244L03	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	HMS3654E11	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	HMS3672C07	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	BCP01925	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Tox21_112511	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	443913-73-3 (free base)	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC744325	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC760766	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC800961	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	s1046	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	ZINC53683345	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AKOS015902350	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Tox21_112511_1	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AC-5251	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	CCG-269495	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	CS-0130	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	DB05294	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC 744325	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC 760766	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NSC-800961	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SB16919	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	N-(4-bromo-2-fluoro-phenyl)-6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-4-amine	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NCGC00167513-02	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NCGC00167513-03	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NCGC00167513-04	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	NCGC00167513-09	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AS-11067	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	BV164508	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	HY-10260	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SMR002530472	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SY027438	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	FT-0656736	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SW218092-2	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	EC-000.2359	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	A25648	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	D06407	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	EN300-265835	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	V-9402	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AB01273969-01	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AB01273969-02	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	AB01273969_04	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	913V733	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SR-00000000462	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Q7914515	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	SR-00000000462-2	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	BRD-K77625799-001-01-0	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Z2512943095	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	4-QUINAZOLINAMINE, N-(4-BROMO-2-FLUOROPHENYL)-6-METHOXY-7-((1-METHYL-4- PIPERIDINYL)METHOXY)-	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]hexanoic acid	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Quinazolin-4-amine, N-(4-bromo-2-fluorophenyl)-6-mthoxy-7-[(1-methyl-4-piperidinyl)methoxy]-	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	Vandetanib;7-((4-aminocyclohexyl)methoxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine	PC_3081361
C22H24BrFN4O2	475.4	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	ZD6	PC_3081361
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	Lestaurtinib	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	111358-88-4	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CEP-701	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	KT-5555	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	SPM-924	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	KT5555	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CEP 701	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	SP924	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	SP 924	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	SP-924	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	KT 5555	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	KT-555	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CEP701	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	C26H21N3O4	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CHEMBL603469	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	DO989GC5D1	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	A-154475.0	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(9S,10S,12R)-2,3,9,10,11,12-Hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NCGC00168772-01	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(5S,6S,8R)-6-hydroxy-6-(hydroxymethyl)-5-methyl-7,8,14,15-tetrahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacen-13(6H)-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	A-154475	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	Lestaurtinib [USAN]	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	Lestaurtinib (USAN/INN)	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	Lestaurtinib [USAN:INN]	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	UNII-DO989GC5D1	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	4otg	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	A 1544750	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CEP-701 hydrate	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	Lestaurtinib; CEP701	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	LESTAURTINIB [INN]	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	DSSTox_CID_26778	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	DSSTox_RID_81897	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	DSSTox_GSID_46778	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	LESTAURTINIB [MART.]	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	LESTAURTINIB [WHO-DD]	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	A 154475.0	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	GTPL5672	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	SCHEMBL1649693	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	DTXSID5046778	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CHEBI:91471	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9S,10S,12R)-	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9S,10S,12R)-	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	BCP06977	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	ZINC3781738	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	Tox21_112633	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	BDBM50308060	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	MFCD09840836	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NSC772196	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NSC800782	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	AKOS024457603	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	AC-5243	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	AM81228	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	DB06469	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NSC-772196	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NSC-800782	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NCGC00168772-02	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NCGC00168772-03	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	NCGC00168772-04	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	HY-50867	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CAS-111358-88-4	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	CS-0004336	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	D04696	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	J-002567	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	Q6531771	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	BRD-K23192422-001-01-1	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaen-3-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20(25),21,23,26-nonaen-3-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(4bR,5S,6S,8R,8aS)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(5S,6S,8R)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(9S,10S,12R)-10-Hydroxy-10-(hydroxymethyl)-9-methyl-2,3,9,10,11,12-hexahydro-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	(9S,10S,12R)-2,3,9,10,11,12-Hexahyd ro-10-hydroxy-10-(hydroxymethyl)-9-methyl-9,12-epo xy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1, 6]benzodiazocin-1-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaen-3-one	PC_126565
C26H21N3O4	439.5	CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N	9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9S-(9alpha,10beta,12alpha))-	PC_126565
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	302962-49-8	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Sprycel	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS-354825	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib anhydrous	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS 354825	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS354825	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib (BMS-354825)	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib (anhydrous)	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	anh. dasatinib	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	anhydrous dasatinib	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	dasatinib (anh.)	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	CHEMBL1421	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	X78UG0A0RN	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	CHEBI:49375	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib D8	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NSC732517	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NSC-732517	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NSC-759877	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-01	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DSSTox_CID_20979	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DSSTox_RID_79608	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DSSTox_GSID_40979	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	dasatinibum	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS-354825 HYDRATE	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	SMR002529551	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	CAS-302962-49-8	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	302962-49-8 pound not863127-77-9	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib [USAN:INN]	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	UNII-X78UG0A0RN	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS Dasatinib	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	1N1	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Kinome_3650	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib (JAN/INN)	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DASATINIB [INN]	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DASATINIB [MI]	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	n-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Sprycel (Bristol Meyers)	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DASATINIB [WHO-DD]	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	SCHEMBL8226	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib,BMS-354825	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	MLS003915609	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	MLS004774145	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	MLS006010904	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Dasatinib - BMS-354825	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	GTPL5678	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DTXSID4040979	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BDBM13216	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	cid_3062316	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	EX-A401	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	5-Thiazolecarboxamide, monohydrate	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BCPP000263	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS2043N05	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3244A05	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3244A06	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3244B05	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3265C19	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3265C20	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3265D19	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3265D20	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3654K05	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HMS3744C11	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Pharmakon1600-01502275	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BCP01797	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	ZINC3986735	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Tox21_112736	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	MFCD11046566	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NSC759877	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NSC800087	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	s1021	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	AKOS015902363	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Tox21_112736_1	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BCP9000589	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS 345825	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	CCG-264779	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	CS-0100	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	DB01254	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	GS-6548	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NSC-800087	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	SB17284	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-02	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-03	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-05	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-06	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-07	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-12	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-14	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00181129-22	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	NCGC00481571-01	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	AC-22749	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BCB03_000715	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS 35482513	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	HY-10181	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	AM20080877	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	D5949	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	FT-0650671	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	SW208076-5	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	EC-000.2122	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	D-3307	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	D03658	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	EN300-123025	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	AB01273956-01	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	AB01273956-02	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	AB01273956_03	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	AR-270/43507994	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Q419940	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	SR-00000000554	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Q-101345	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	SR-00000000554-5	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BRD-K49328571-001-05-1	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BRD-K49328571-001-07-7	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	BMS-354825;BMS354825;BMS 354825	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Z1546610486	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide	PC_3062316
C22H26ClN7O2S	488.0	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide	PC_3062316
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Axitinib	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	319460-85-0	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AG-013736	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Inlyta	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AG 013736	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	(E)-N-Methyl-2-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AG-13736	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AG013736	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	C9LVQ0YUXG	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NSC-757441	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	CHEBI:66910	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	(E)-N-methyl-2-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-ylthio)benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NSC757441	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NCGC00241108-01	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	S1005	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	DSSTox_CID_28975	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	DSSTox_RID_83240	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	DSSTox_GSID_49049	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-methyl-2-({3-[(E)-2-(pyridin-2-yl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Axitinib [USAN]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	CAS-319460-85-0	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	UNII-C9LVQ0YUXG	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	axitinibum	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Axitinib [USAN:INN:JAN]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Axitinib (AG 013736)	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	4agc	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	BENZAMIDE, N-METHYL-2-((3-((1E)-2-(2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)THIO)-	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Benzamide, N-methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-methyl-2-({3-[(1E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Inlyta (TN)	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	MFCD09837898	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AG13736	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	4ag8	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Axitinib (JAN/USAN)	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AXITINIB [INN]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AXITINIB [JAN]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AXITINIB [MI]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AXITINIB [VANDF]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AXITINIB [MART.]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AG-013736;Axitinib	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AXITINIB [WHO-DD]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Axitinib,AG-013736	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	MLS006010164	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	SCHEMBL172918	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AXITINIB [ORANGE BOOK]	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	GTPL5659	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Axitinib, >=98% (HPLC)	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	CHEMBL1289926	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	DTXSID3049049	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	SCHEMBL22930506	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	BDBM25117	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	CHEBI:94568	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	EX-A337	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	BCPP000372	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	BCP01371	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	ZINC3816287	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Tox21_113597	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NSC799341	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AKOS015902898	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Tox21_113597_1	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AC-1539	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	BCP9000345	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	CCG-264772	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	CS-0116	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	DB06626	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	KS-1448	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NSC 757441	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NSC-799341	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Benzamide, N-methyl-2-((3-((E)-2-(2-pyridinyl)ethenyl)-1H-indazol-6-yl)thio)-	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NCGC00241108-04	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	NCGC00241108-06	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	HY-10065	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	SMR002530046	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AM20090673	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	SW219464-1	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	D03218	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AB01274739-01	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	AB01274739_02	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	460A850	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	EN300-26869010	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	SR-01000941566	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	J-502064	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Q-200662	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Q4830631	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	SR-01000941566-1	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	BRD-K29905972-001-01-4	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	BRD-K29905972-001-02-2	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-Methyl-[[3[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-benzamide	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-METHYL-2((3-((1E0-2-(PYRIDIN-2-YL)ETHENYL)-1H-INAZOL-6-YLSUFANYL)BENZAMIDE	PC_6450551
C22H18N4OS	386.5	CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	N-methyl-2-({3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl}sulfanyl)benzamide	PC_6450551
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Saracatinib	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	379231-04-6	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AZD0530	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Saracatinib (AZD0530)	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AZD-0530	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AZD 0530	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]-4-quinazolinamine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	SARACATINIB, FREE BASE	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	9KD24QGH76	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	CHEMBL217092	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AZ-10353926	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	4-(6-Chloro-2,3-methylenedioxyanilino)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-tetrahydropyran-4-yloxyquinazoline	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methyl-1-piperazinyl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)-	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	H8H	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Saracatinib [USAN]	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	nchembio866-comp19	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Saracatinib [USAN:INN]	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	saracatinibum	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	UNII-9KD24QGH76	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	2h8h	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Saracatinib,AZD0530	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	SARACATINIB [INN]	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Saracatinib (USAN/INN)	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Saracatinib - AZD0530	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	SCHEMBL41547	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	SARACATINIB [WHO-DD]	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	MLS006011166	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	GTPL7731	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	BDBM12255	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	CHEBI:47458	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AZD0350	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	DTXSID90191355	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	BCPP000364	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HMS3265E21	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HMS3265E22	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HMS3265F21	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HMS3265F22	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HMS3654K03	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HMS3747A05	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HMS3884A03	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	BCP01733	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	EX-A1576	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	MFCD09832698	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NSC735464	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NSC758872	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NSC800878	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	s1006	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	ZINC24811973	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AKOS005145757	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AC-5249	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	BCP9000358	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	CCG-264773	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	CS-0101	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	DB11805	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NSC-758872	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NSC-800878	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	SB16503	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NCGC00241099-01	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NCGC00241099-03	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	NCGC00241099-06	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AS-16692	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	HY-10234	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxy-quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	SMR004702935	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	BCP0726000126	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	FT-0657225	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	SW218134-2	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	D09664	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	231S046	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	A823939	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Q-201699	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	BRD-K19540840-001-05-2	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	Q21098957	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	AZD-0530;N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxy-quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-(2-(4-METHYLPIPERAZIN-1-YL)ETHOXY)-5-((OXAN-4-YL)OXY)QUINAZOLIN-4-AMINE	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-[(oxan-4-yl)oxy]quinazolin-4-amine	PC_10302451
C27H32ClN5O5	542.0	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N	N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(((4-methylpiperazin-1-yl)methoxy)methyl)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine	PC_10302451
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Lenalidomide	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	191732-72-6	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Revlimid	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Revimid	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CC-5013	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Lenalidomide (CC-5013)	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Lenadoamide	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CDC 501	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CDC-501	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	IMiD3	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CC 5013	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Revlimid (TN)	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	NSC-747972	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CHEBI:63791	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	C13H13N3O3	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	F0P408N6V4	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SYP-1512	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	MFCD07772307	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	1-oxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	NCGC00167491-01	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Lenalidomide [USAN]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	DSSTox_CID_26664	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	DSSTox_RID_81806	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	DSSTox_GSID_46664	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Revlimid (lenalidomide)	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-Amino-1-oxo-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CAS-191732-72-6	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Lenalidomide (USAN/INN)	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	UNII-F0P408N6V4	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Lenalidomide [USAN:INN:BAN]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	ENMD 0997	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	ENMD-0997	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	HSDB 8220	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	IMID-5013	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CDC-5013	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	ALBB-015321	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [MI]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [INN]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [JAN]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CHEMBL848	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Revlimid (TN) (Celgene)	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [VANDF]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SCHEMBL32978	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [MART.]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	MLS003899194	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [WHO-DD]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	GTPL7331	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SCHEMBL1980410	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [EMA EPAR]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-Amino-1-oxo-2-isoindolinyl)piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	DTXSID8046664	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	BDBM65454	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	BCPP000186	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	HMS3654G07	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	HMS3674C05	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	LENALIDOMIDE [ORANGE BOOK]	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	BCP01390	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	HY-A0003	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Revlimid, Lenalidomide, CC-5013	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Tox21_112492	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	AC-914	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	NSC747972	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	s1029	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	STK639603	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H- isoindol-2-yl)-	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	AKOS005146276	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	AKOS005174869	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Tox21_112492_1	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	BCP9000847	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CCG-264781	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	CS-0125	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	DB00480	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	KS-1207	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	NSC 747972	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SB66166	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	NCGC00167491-02	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	NCGC00167491-03	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	NCGC00167491-04	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	443912-14-9	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	BL164614	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	BP-27972	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SMR002529986	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SY047646	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	AM20050439	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	FT-0659651	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	FT-0670758	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	FT-0670759	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SW218084-2	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	EC-000.2340	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	D04687	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	EN300-118706	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	AB01273975-01	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	AB01273975-02	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	AB01273975_03	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	732L726	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Q425681	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SR-01000883999	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Q-101410	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	SR-01000883999-1	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Z1515385074	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	2, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-amino-1,3-dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-dioxopiperidine	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione	PC_216326
C13H13N3O3	259.26	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	4-amino-2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one	PC_216326
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Panobinostat	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	404950-80-7	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	LBH589	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	LBH-589	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Farydak	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Panobinostat (LBH589)	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Faridak	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	LBH 589	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	NVP-LBH589	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	NVP-LBH-589	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	LBH-589B	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	CHEBI:85990	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	9647FM7Y3Z	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	404950-80-7 (free base)	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(E)-N-HYDROXY-3-(4-{[2-(2-METHYL-1H-INDOL-3-YL)-ETHYLAMINO]-METHYL}-PHENYL)-ACRYLAMIDE	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Farydak (TN)	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]acrylamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	2-Propenamide, N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Panobinostat [INN]	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Panobinostat [USAN:INN]	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	UNII-9647FM7Y3Z	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Panobinostat(LBH589)	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	PANOBINOSTAT [MI]	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	LBH589 - Panobinostat	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Panobinostat (USAN/INN)	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	PANOBINOSTAT [USAN]	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	N-Hydroxy-3-[4-[2-(2-methyl-1H-indol-3-yl)ethylaminomethyl]phenyl]-2(E)-propenamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	PANOBINOSTAT [MART.]	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	MLS006011216	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	NVP-LBH 589	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	PANOBINOSTAT [WHO-DD]	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	SCHEMBL164801	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	SCHEMBL183197	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	CHEMBL483254	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	GTPL7489	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	SCHEMBL22773814	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	BDBM29589	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	CHEBI:93774	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	DTXSID40193506	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	EX-A169	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	BCPP000187	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	BDBM198124	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	BCP01816	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	LBH58,9NVP-LBH589,Panobinostat	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(LBH-589)	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	MFCD09833242	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	NSC761190	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	s1030	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	ZINC22010649	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	AKOS005146046	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	BCP9000844	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	CCG-208762	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	CS-0267	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	DB06603	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	EX-8456	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	NSC-761190	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(2E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enehydroxamic acid	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	NCGC00263117-05	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	NCGC00263117-07	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino) methyl)phenyl)-, (2E)-	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	AC-28652	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	AM808102	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	AS-17046	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	HY-10224	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	SMR004702978	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	DB-025426	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	SW219369-1	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	EC-000.2287	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	A25218	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	D10319	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	EN300-7395075	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	J-523585	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Q7131441	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	BRD-K02130563-001-07-2	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	(E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indole-3-yl)ethyl]amino]methyl]phenyl]acrylamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	N-hydroxy-3 -[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide	PC_6918837
C21H23N3O2	349.4	Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Panobinostat;(E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide	PC_6918837
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Pazopanib	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	444731-52-6	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GW786034	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-((4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-yl)amino)-2-methylbenzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GW 786034	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NSC-752782	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	7RN5DR86CK	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GW 78603	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GW-786034	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	CHEBI:71219	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NCGC00188865-01	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	DSSTox_CID_28659	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	DSSTox_RID_82929	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	DSSTox_GSID_48733	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-[[4-[(2,3-dimethyl-2h-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-[4-[(2,3-Dimethyl-2H-indazol-6-yl)-methyl-amino]-pyrimidin-2-ylamino]-2-methyl-benzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Pazopanib [INN]	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-({4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)methylamino)-2-pyrimidinyl)amino)-2-methyl-	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Pazopanib (GW-786034)	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	CAS-444731-52-6	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	790713-33-6	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Pazopanib [INN:BAN]	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	UNII-7RN5DR86CK	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	pazopanibum	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	HSDB 8210	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Pazopanib- Bio-X	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	MFCD11616589	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GW 786034B	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	indazolylpyrimidine 13	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Pazopanib (free base)	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Kinome_3790	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GW780604	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	PAZOPANIB [MI]	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GW-780604	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	PAZOPANIB [VANDF]	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Pazopanib-d6 (deuterated)	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	PAZOPANIB [WHO-DD]	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	PAZOPANIB [EMA EPAR]	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-(4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-ylamino)-2-methylbenzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	SCHEMBL588608	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	CHEMBL477772	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	GTPL5698	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	JMC514632 Compound 13	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	DTXSID8048733	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	BDBM26474	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	cid_10113978	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	BCPP000129	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	HMS3244C21	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	HMS3244C22	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	HMS3244D21	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	HMS3656L14	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	HMS3745G05	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	BCP01839	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	EX-A1241	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Tox21_113174	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NSC752782	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NSC800839	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	s3012	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	ZINC11617039	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AKOS005145819	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Tox21_113174_1	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AC-8522	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	BCP9001053	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	CCG-265010	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	CS-0269	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	DB06589	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NSC 752782	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NSC-800839	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	SB17290	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NCGC00188865-02	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NCGC00188865-03	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	NCGC00188865-10	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AS-11066	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	BD164238	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	HY-10208	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AM20090659	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	FT-0659928	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	FT-0684794	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	SW218082-3	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	EN300-57325	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	A19406	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	P-6706	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AB01273967-01	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AB01273967-02	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AB01273967_05	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AB01273967_06	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	A839572	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	AR-270/43507999	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Q-101400	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Q7157043	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	BRD-K74514084-003-02-7	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	Z1541638525	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-(3-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)phenylamino)-2-methylbenzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]-2-pyrimidinyl}amino)-2-methylbenzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-[[4-[(2,3-dimethyl-2h-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide	PC_10113978
C21H23N7O2S	437.5	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	5-[[4-[(2,3-dimethyl-6-indazolyl)-methylamino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide	PC_10113978
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Temsirolimus	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	CCI-779	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Torisel	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	162635-04-3	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	624KN6GM2T	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	CHEMBL1201182	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Cci 779	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	NCGC00167518-01	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Rapamycin 42-(2,2-bis(hydroxymethyl)propionate)	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Rapamycin 42-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Rapamycin, 42-(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	(1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	CHEBI:79699	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Temserolimus	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	NSC-683864	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	MFCD00934421	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Temsirolimus (CCI-779, NSC 683864)	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Temsirolimus [USAN]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Temsirolimus - Torisel	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [MI]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [INN]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [JAN]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	DSSTox_CID_20945	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	DSSTox_RID_79605	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [VANDF]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	UNII-624KN6GM2T	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	DSSTox_GSID_40945	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	SCHEMBL18792	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [MART.]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	42-(3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate)rapamycin	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [WHO-DD]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	WAY-CCI 779	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	GTPL5892	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [EMA EPAR]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	DTXSID2040945	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	HSDB 7931	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Temsirolimus, >=98% (HPLC)	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	TEMSIROLIMUS [ORANGE BOOK]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]-rapamycin	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Temsirolimus [USAN:INN:BAN:JAN]	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Tox21_112515	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	BDBM50343413	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	s1044	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	AKOS025142069	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	AM84554	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	CCG-264790	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	CS-0129	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	NCGC00167518-02	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	NCGC00167518-05	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	NCGC00167518-09	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	HY-50910	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	CAS-162635-04-3	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	T3574	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	AB01274736-01	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	AB01274736_02	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	635T043	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	SR-01000898799	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	J-009958	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	Q7699074	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	SR-01000898799-3	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	BRD-K08177763-001-02-6	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	A4I	PC_6918289
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-PXVOFZQNSA-N	Temsirolimus	PC_18293306
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-PXVOFZQNSA-N	162635-04-3	PC_18293306
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-PXVOFZQNSA-N	Temsirolimus (CCI-779, NSC 683864)	PC_18293306
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-PXVOFZQNSA-N	EX-A957	PC_18293306
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-PXVOFZQNSA-N	NSC 683864	PC_18293306
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-PXVOFZQNSA-N	[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate	PC_18293306
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	Temsirolimus	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	Cci 779	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	CHEBI:79699	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	Torisel (TN)	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	Temsirolimus (JAN/USAN/INN)	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	162635-04-3	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	DB06287	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	D06068	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	J-524319	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-HGVVHKDOSA-N	(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate	PC_23724530
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	Temsirolimus	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	162635-04-3	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	Cci 779	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	[4-[2-(1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl)propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	CCI779	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	LSM-4295	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	FT-0674847	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	Q27165485	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UHFFFAOYSA-N	Rapamycin 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate	PC_148191
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-QWRHTZMXSA-N	Temsirolimus	PC_86287409
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-QWRHTZMXSA-N	162635-04-3	PC_86287409
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-QWRHTZMXSA-N	CHEMBL4742703	PC_86287409
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-QWRHTZMXSA-N	A882821	PC_86287409
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C\C=C\[C@H](C[C@H](C(=O)[C@H]([C@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FAYWIXGWSA-N	Temsirolimus	PC_53486199
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C\C=C\[C@H](C[C@H](C(=O)[C@H]([C@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FAYWIXGWSA-N	162635-04-3	PC_53486199
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C\C=C\[C@H](C[C@H](C(=O)[C@H]([C@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FAYWIXGWSA-N	AKOS025402386	PC_53486199
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C\C=C\[C@H](C[C@H](C(=O)[C@H]([C@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FAYWIXGWSA-N	AC-8758	PC_53486199
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-AQHKCTBXSA-N	Temsirolimus	PC_71433778
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-AQHKCTBXSA-N	162635-04-3	PC_71433778
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-AQHKCTBXSA-N	AKOS032960291	PC_71433778
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)[C@@]1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UITOJQKMSA-N	Temsirolimus	PC_129317846
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)[C@@]1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-UITOJQKMSA-N	162635-04-3	PC_129317846
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C\C=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-KFZNZFKNSA-N	Temsirolimus	PC_71312019
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C\C=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-KFZNZFKNSA-N	162635-04-3	PC_71312019
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C\C=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-KFZNZFKNSA-N	SCHEMBL16848395	PC_71312019
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N	Temsirolimus	PC_54608508
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N	NSC-683864	PC_54608508
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N	Torisel (TM)	PC_54608508
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N	162635-04-3	PC_54608508
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N	NSC683864	PC_54608508
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N	WAY-130,779	PC_54608508
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N	Rapamycin 42-[3-hydroxy-2(hydroxymethyl)-2-methylpropanoate]	PC_54608508
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-RERLVDEVSA-N	Temsirolimus	PC_86277830
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2CC(/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)C([C@@H](/C(=C/[C@H](C(=O)CC(OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-VYCIWTNRSA-N	Temsirolimus	PC_132274070
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2CC(/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)C([C@@H](/C(=C/[C@H](C(=O)CC(OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-VYCIWTNRSA-N	162635-04-3	PC_132274070
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2CC(/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)C([C@@H](/C(=C/[C@H](C(=O)CC(OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-VYCIWTNRSA-N	AS-11427	PC_132274070
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@H]\1C[C@H](C(=O)C([C@@H](/C(=C/C(C(=O)C[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]3(C(CC[C@H](O3)CC(/C(=C/C=C/C=C1)/C)OC)C)O)C(C)CC4CCC([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C	CBPNZQVSJQDFBE-HELDCPHESA-N	Temsirolimus	PC_137295275
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@H]\1C[C@H](C(=O)C([C@@H](/C(=C/C(C(=O)C[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]3(C(CC[C@H](O3)CC(/C(=C/C=C/C=C1)/C)OC)C)O)C(C)CC4CCC([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C	CBPNZQVSJQDFBE-HELDCPHESA-N	162635-04-3	PC_137295275
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@H]\1C[C@H](C(=O)C([C@@H](/C(=C/C(C(=O)C[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]3(C(CC[C@H](O3)CC(/C(=C/C=C/C=C1)/C)OC)C)O)C(C)CC4CCC([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C	CBPNZQVSJQDFBE-HELDCPHESA-N	BCP25281	PC_137295275
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-GOFCWFHQSA-N	Temsirolimus	PC_145712265
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-GOFCWFHQSA-N	162635-04-3	PC_145712265
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-CNMOEQDOSA-N	Temsirolimus	PC_163359784
C56H87NO16	1030.3	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-CNMOEQDOSA-N	162635-04-3	PC_163359784
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	149647-78-9	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SAHA	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	suberoylanilide hydroxamic acid	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Zolinza	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N-hydroxy-N'-phenyloctanediamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N1-hydroxy-N8-phenyloctanediamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Suberanilohydroxamic acid	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	MK-0683	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	MK0683	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Octanediamide, N-hydroxy-N'-phenyl-	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N'-hydroxy-N-phenyloctanediamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat (SAHA, MK0683)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	CCRIS 8456	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N-Hyrdroxy-N'-phenyloctanediamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC-701852	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat (SAHA)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SHH	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	CHEMBL98	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	MFCD00945317	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC-748799	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC-759852	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	58IFB293JI	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	CHEBI:45716	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N1-hydroxy-N8-phenyl-octanediamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	WIN64652	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC701852	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SAHA cpd	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NCGC00168085-01	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NCGC00168085-02	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat [USAN]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Zolinza (TN) (Merck)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SAHA-d5	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	DSSTox_CID_21133	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	DSSTox_RID_79632	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	DSSTox_GSID_41133	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat MSD	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SMR000486344	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Zolinza (TN)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	CAS-149647-78-9	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SR-05000000373	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat (JAN/USAN)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat [USAN:INN]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	MK 0683	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	vorinostatum	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	UNII-58IFB293JI	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Suberoylanilidehydroxamic Acid	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SKI390	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HSDB 7930	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	4lxz	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat(SAHA)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Zolinza; SAHA	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat - SAHA	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SAHA, Suberoylanilide hydroxamic acid	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	1zz1	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	VORINOSTAT [MI]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SW-064652	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	VORINOSTAT [INN]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	VORINOSTAT [JAN]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	8-(hydroxyamino)-8-oxo-N-phenyl-octanamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	VORINOSTAT [VANDF]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	cid_5311	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SCHEMBL9018	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	VORINOSTAT [MART.]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	VORINOSTAT [WHO-DD]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	MLS001065855	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	MLS006011941	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	GTPL6852	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	DTXSID6041133	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	VORINOSTAT [ORANGE BOOK]	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BDBM19149	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat (SAHA; MK0683)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SUBERANILOHYDROXAMINIC ACID	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	1t69	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N-hydroxy-N''-phenyloctanediamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BCPP000018	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS2219L20	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS3264D20	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS3327C12	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS3426G03	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS3650D09	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS3654G11	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS3715E22	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HMS3745M03	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Pharmakon1600-01502267	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BCP01858	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	EX-A2745	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SAHA, >=98% (HPLC)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat,SAHA,Zolinza,MK-0683	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	ZINC1543873	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Tox21_112605	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Tox21_113623	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat,CAS:149647-78-9	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC748799	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC759852	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Octanediamide, N1-hydroxy-N8-phenyl	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	s1047	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SK1390	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	AKOS015966648	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Octanediamide, N1-hydroxy-N8-phenyl-	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Tox21_112605_1	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	AC-1923	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	CCG-208659	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	CS-0589	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	DB02546	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	DG-0025	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC 701852	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC 748799	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NSC 759852	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SB17319	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Suberoylanilide hydroxamic acid (SAHA)	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NCGC00168085-03	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NCGC00168085-04	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NCGC00168085-05	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	NCGC00168085-13	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BP-25652	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BP-30216	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BV164560	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	HY-10221	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SY009383	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	AM20030018	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	FT-0650593	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	H1388	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SW199536-4	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	EC-000.2057	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	D06320	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	EN300-120641	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	AB00375377-07	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	AB00375377-08	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	AB00375377-09	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	AB01644613_25	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	647S789	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	A808935	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Q905901	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Vorinostat, SAHA, suberoylanilide hydroxamic acid	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SR-05000000373-2	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SR-05000000373-6	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	SR-05000000373-8	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	W-201327	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BRD-K81418486-001-01-2	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BRD-K81418486-001-10-3	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BRD-K81418486-001-12-9	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BRD-K81418486-001-13-7	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BRD-K81418486-001-17-8	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	BRD-K81418486-001-18-6	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	Z1530532755	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	N-Hydroxy-N inverted exclamation mark -phenyloctanediamide	PC_5311
C14H20N2O3	264.32	O=C(CCCCCCC(=O)Nc1ccccc1)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	1227736-21-1	PC_5311
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	209783-80-2	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ms-275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SNDX-275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat (MS-275)	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS 275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS-27-275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SNDX 275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS 27-275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	1ZNY4FKK9H	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BAY 86-5274	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	CHEMBL27759	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NSC706995	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BAY86-5274	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NSC-706995	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl 4-(2-aminophenylcarbamoyl)benzylcarbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS-275-27	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Carbamic acid, N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3- pyridinylmethyl ester	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	442532-99-2	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate.	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat (MS-275,SNDX-275)	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	entinostatum	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	N-(2-aminophenyl)-4-[N-(pyridin-3-ylmethoxycarbonyl)aminomethyl]benzamide	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat, free base	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ENTINOSTAT [INN]	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ENTINOSTAT [JAN]	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat [USAN:INN]	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	UNII-1ZNY4FKK9H	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ENTINOSTAT [USAN]	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS-275 - Entinostat	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	3-Pyridinylmethyl ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	benzamide-type inhibitor, 3	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Carbamic acid, ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3-pyridinylmethyl ester	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ENTINOSTAT [WHO-DD]	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MLS006010183	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat (JAN/USAN/INN)	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SCHEMBL148309	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	GTPL7007	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	DTXSID0041068	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BDBM19410	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	EX-A038	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	CHEBI:132082	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BCPP000155	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	HMS3426G07	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	HMS3648K12	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	HMS3654O11	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	HMS3744O17	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ACT06782	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	AMY31163	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BCP01824	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ZINC1488870	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MFCD08272435	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NSC756642	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	s1053	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat (MS-275;SNDX-275)	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	AKOS024262667	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	N-(2-Aminophenyl)-4-[N-(pyridin-3-yl-methoxycarbonyl)aminomethyl]benzamide	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	AC-8968	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BCP9000967	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Carbamic acid, 3-pyridinylmethyl ester	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	CCG-208680	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	CS-0511	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	DB11841	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Entinostat (MS-275, SNDX-275)	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NSC 706995	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NSC-756642	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SB16665	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Carbamic acid, [[4-[[(2-aminophenyl)carbaonyl]phenyl]methyl]-, 3-pyridinylmethyl ester	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NCGC00165833-01	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NCGC00165833-02	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NCGC00165833-03	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NCGC00165833-04	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NCGC00165833-11	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NCGC00165833-13	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	AS-17906	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BP-25653	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	HY-12163	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	NCI60_038022	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SMR004458705	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS-275, A HDAC1 and HDAC3 inhibitor	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	ZK 244894	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	E1454	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	FT-0667871	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SW219667-1	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	EC-000.2117	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	D09338	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	EN300-6488260	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	783M802	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	A815057	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	MS-275,Entinostat, SNDX-275, MS-27-275	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SR-01000946382	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Q1281020	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SR-01000946382-1	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	W-201831	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BRD-K77908580-001-02-1	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	BRD-K77908580-001-04-7	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Z2037280922	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	(pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl4-((2-aminophenyl)carbamoyl)benzylcarbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	Pyridin-3-ylmethyl ({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	(pyridin-3-yl)methyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]-3-pyridinylmethyl ester, carbamic acid	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester	PC_4261
C21H20N4O3	376.4	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	SNDX 275;3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate	PC_4261
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	763113-22-0	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Lynparza	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZD2281	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZD-2281	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	KU-0059436	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZD 2281	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib (AZD-2281)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-(3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	KU-59436	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib (AZD2281, Ku-0059436)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-[[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZ2281	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	MFCD13185161	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	WOH1JD9AR8	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NSC-747856	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	C24H23FN4O3	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	CHEBI:83766	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-(3-{[4-(Cyclopropylcarbonyl)piperazin-1-Yl]carbonyl}-4-Fluorobenzyl)phthalazin-1(2h)-One	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZ-2281	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	KEYLYNK-010 COMPONENT OLAPARIB	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	KU59436	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB COMPONENT OF KEYLYNK-010	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib [INN]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-[(3-{[4-(Cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorophenyl)methyl]phthalazin-1(2H)-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB cpd	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib (AZD2281; Ku-0059436)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib [USAN:INN]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	UNII-WOH1JD9AR8	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib (AZD2281)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparibum	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZD221	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorobenzyl]phthalazin-1(2H)-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib- Bio-X	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Lynparza (TN)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	09L	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-((3-{(4-(cyclopropylcarbonyl)piperazin-1-yl)carbonyl}-4-fluorophenyl)methyl)phthalazin-1(2H)-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	KU 59436	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB [USAN]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB [JAN]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	KU0059436	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB [MI]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB [VANDF]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib - AZD2281	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB [MART.]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB [WHO-DD]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZD-2281 (Olaparib)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib (JAN/USAN/INN)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	MLS006010185	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	SCHEMBL426568	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	OLAPARIB [ORANGE BOOK]	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	CHEMBL521686	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	GTPL7519	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BDBM27566	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	DTXSID60917988	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	EX-A002	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BCPP000360	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	HMS3295I09	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	HMS3426C03	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	HMS3654G13	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	HMS3746K07	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	HMS3870H03	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AMY10295	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BCP01872	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	763113-22-0, Lynparza,	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NSC747856	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NSC753686	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	s1060	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	ZINC40430143	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AKOS005145764	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AC-7939	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BCP9000363	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	CCG-264799	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	CS-0075	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	DB09074	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	EX-7210	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NSC 747856	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NSC-753686	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	SB14617	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	SS-4573	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	AZD2281,Olaparib, KU-0059436	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NCGC00238451-01	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NCGC00238451-02	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NCGC00238451-08	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NCGC00238451-09	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	NCGC00238451-11	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-[[3-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-1(2H)-phthalazinone	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-{[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorophenyl]methyl}-1,2-dihydrophthalazin-1-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BO164169	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	HY-10162	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	SMR004701291	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	SY040527	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Olaparib(AZD2281,KuDOSKU-0059436)	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	A9666	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BB 0260909	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	FT-0651458	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	KU 0059436	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	SW218142-2	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	EC-000.2324	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	D09730	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	EN300-7542225	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	J-503540	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Q7083106	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BRD-K02113016-001-08-9	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	BRD-K02113016-001-09-7	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	Z2227698469	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	1-(cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazine	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-(3-(1-(cyclopropanecarbonyl)piperazine-4-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	(2H)-Phthalazinone, 4-((3-((4-(cyclopropylcarbonyl)-1-piperazinyl)carbonyl)-4-fluorophenyl)methyl)-	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	1(2H)-PHTHALAZINONE, 4-((3-((4-(CYCLOPROPYLCARBONYL)-1-PIPERAZINYL)CARBONYL)-4-FLUOROPHENYL)METHYL)-	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	1021843-02-6	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one	PC_23725625
C24H23FN4O3	434.5	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	PIPERAZINE, 1-(CYCLOPROPYLCARBONYL)-4-(5-((3,4-DIHYDRO-4-OXO-1-PHTHALAZINYL)METHYL)-2-FLUOROBENZOYL)-	PC_23725625
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	957054-30-7	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GDC-0941	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	PICTILISIB	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Pictrelisib	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GDC0941	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GDC 0941	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GDC-0941 (Pictilisib)	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Pictilisib (GDC-0941)	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	ICY00EMP8P	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CHEBI:65326	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CDC-0941	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	957054-30-7 (free base)	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Pictilisib (USAN)	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	RG7321	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	PICTILISIB [USAN]	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	2-(1H-indazol-4-yl)-6-((4-(methanesulfonyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	2-(1H-Indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GD9	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Thieno(3,2-d)pyrimidine, 2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)-1-piperazinyl]methyl)-4-(4-morpholinyl)-	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	RG-7321	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Pictilisib [USAN:INN]	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	UNII-ICY00EMP8P	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	THIENO(3,2-D)PYRIMIDINE, 2-(1H-INDAZOL-4-YL)-6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)-	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Kinome_3719	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	PICTILISIB [MI]	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GDC0941(Pictilisib)	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	PICTILISIB [INN]	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	957054-50-1	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Pictilisib; GDC-0941	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	PICTILISIB [WHO-DD]	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	MLS006010057	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	SCHEMBL190812	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CHEMBL521851	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GTPL5682	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	BDBM25028	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	DTXSID40241930	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	EX-A167	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS2043A16	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3244H06	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3244H10	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3244H14	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3265I05	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3265I06	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3265J05	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3265J06	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3654K13	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HMS3744A19	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	BCP01714	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	EX-A1536	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	GNE 0941	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	MFCD11616196	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	NSC755385	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	NSC800852	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	s1065	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	ZINC16052714	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	AKOS015966503	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	BCP9000715	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CCG-264801	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CS-0081	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	DB11663	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	NSC-755385	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	NSC-800852	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	SB19941	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	NCGC00187482-01	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	NCGC00187482-03	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	NCGC00187482-10	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	AC-32623	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	AS-19377	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	HY-50094	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	SMR004701219	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	FT-0696889	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	SW202556-4	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	EC-000.2335	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	D10189	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	054G307	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	A845396	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	J-513238	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	BRD-K52911425-001-02-3	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Q27088388	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-thieno[3,2-d]pyrimidinyl]morpholine	PC_17755052
C23H27N7O3S2	513.6	CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	Thieno[3,2-d]pyrimidine,2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-	PC_17755052
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Vismodegib	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	879085-55-9	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GDC-0449	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Erivedge	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Vismodegib (GDC-0449)	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	HhAntag691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GDC0449	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GDC 0449	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NSC-747691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NSC-755986	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	CHEMBL473417	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	CHEBI:66903	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	25X868M3DS	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NSC755986	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-n-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-N-(4-chloro-3-pyridin-2-yl-phenyl)-4-methanesulfonyl-benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-Chloranyl-~{n}-(4-Chloranyl-3-Pyridin-2-Yl-Phenyl)-4-Methylsulfonyl-Benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GDC-0449 (Vismodegib)	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Erivedge (TN)	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Vismodegib [USAN]	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Vismodegib [USAN:INN]	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NSC 747691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	vismodegibum	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	UNII-25X868M3DS	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	HSDB 8130	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	R 3616	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NSC747691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Hh-Antag691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	HhAntag 691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Vismodegib, free base	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	RG 3616	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	RG-3616	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	methanesulfonylbenzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	VISMODEGIB [MI]	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	VISMODEGIB [INN]	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Vismodegib (USAN/INN)	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	VISMODEGIB [VANDF]	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Vismodegib; GDC-0449	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	R-3616	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	VISMODEGIB [WHO-DD]	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GDC-0449 - Selumetinib	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	MLS006012035	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	SCHEMBL302587	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GTPL6975	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	VISMODEGIB [ORANGE BOOK]	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	CUR-691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	DTXSID40236689	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GDC-449	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	BCPP000223	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	HMS3604K16	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	HMS3654E17	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	BCP01715	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	EX-A2178	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	BDBM50249522	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	MFCD12407408	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NSC755809	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	s1082	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	ZINC40899447	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	GDC-0449,Vismodegib, HhAntag691	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-Chloro-N-(4-chloro-3-(pyridin-2-yl)-phenyl)-4-(methylsulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	AKOS015966534	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	BCP9000713	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	CCG-264811	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	CS-0255	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	DB08828	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NSC-755809	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	PB15086	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NCGC00242497-01	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NCGC00242497-02	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NCGC00242497-06	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	NCGC00242497-12	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	AC-26969	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	AS-14066	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	HY-10440	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	SMR004703564	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	FT-0675833	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	SW218087-2	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	EC-000.2333	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	D09992	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	V-4050	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	AB01565813_02	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	EN300-7413185	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	085G559	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	SR-01000941574	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	J-509076	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	Q2070286	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	SR-01000941574-1	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-Chloro-N-(4-chloro-3-(2-pyridl)phenyl)-4-(methylsulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methyl sulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-chloro-N~1~-[4-chloro-3-(2-pyridyl)phenyl]-4-(methylsulfonyl)benzamide	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-CHLORO-N-(4-CHLORO-3-PYRIDIN-2-YL)PHENYL)-4-(METHYLSULFONYL)BENZAMIDE	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	2-CHLORO-N-[4-CHLORO-3-(2-PYRIDINYL)PHENYL]-4-(METHYLSULFONYL)-BENZAMIDE	PC_24776445
C19H14Cl2N2O3S	421.3	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	VIS	PC_24776445
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	284461-73-0	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Nexavar	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY 43-9006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N-METHYLPICOLINAMIDE	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	sorafenibum	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib free base	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	100012-18-8	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	284461-73-0 (free base)	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	MFCD06411450	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY-43-9006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	9ZOQ3TZI87	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	CHEMBL1336	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	DTXSID7041128	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	CHEBI:50924	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib [INN]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib (Nexavar)	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-{3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Donafenib (Sorafenib D3)	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAX	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Manganese(4+), chloro[[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-kappaN21,kappaN22,kappaN23,kappaN24)tetrakis[1-methylpyridiniumato]](2-)]-, chloride (1:4), (SP-5-12)-	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	1210608-86-8	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NSC-724772	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NCGC00167488-01	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	UNII-9ZOQ3TZI87	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib [USAN:INN:BAN]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SR-00000000529	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	HSDB 8173	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	1uwh	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	3gcs	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	3heg	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4asd	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Hit compound, 8	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib, 4	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N(SUP 2)-METHYLPYRIDINE-2-CARBOXAMIDE	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY 439006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY43-9006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Kinome_766	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SORAFENIB BASE	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SORAFENIB [MI]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib (USAN/INN)	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib-[13C,d3]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SORAFENIB [USAN]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Nexavar (TN) (Bayer)	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SORAFENIB [VANDF]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SORAFENIB [MART.]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	EC 608-209-4	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SCHEMBL8218	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SORAFENIB [WHO-DD]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SORAFENIB [EMA EPAR]	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY 43-9006; Sorafenib	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	cid_216239	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	GTPL5711	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BDBM16673	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BCPP000064	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	HMS2043A18	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	HMS3244A15	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	HMS3244A16	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	HMS3244B15	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	HMS3656N20	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	K00597a	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	ACT06732	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BCP01767	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BCP34023	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	EX-A2894	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	ZINC1493878	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY439006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NSC747971	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NSC800934	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	s7397	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	STK627350	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	AKOS005560229	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	AC-1674	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY-439006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	CCG-269400	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	CS-1590	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	DB00398	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NSC-747971	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NSC-800934	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	PB14443	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SB19942	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SF-0529	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY-43-0006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib free base (BAY-43-9006)	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NCGC00167488-02	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NCGC00167488-03	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NCGC00167488-04	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NCGC00167488-05	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NCGC00167488-07	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	NCGC00167488-14	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BS164413	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	HY-10201	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SY009239	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	AM20090614	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	FT-0650736	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	FT-0674632	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SW202562-4	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	D08524	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	EN300-120647	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	AB00933189-05	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	AB00933189-06	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	AB00933189_08	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	461S730	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	A819449	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Q421136	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Q-201728	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	SR-00000000529-1	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BRD-K23984367-001-01-8	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Z89277543	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	BAY 439006; BAY439006; BAY-439006	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	Sorafenib (D3); CM-4307; CM 4307; CM4307;Bay 43-9006 (D3)	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido) phenoxy)-N-methylpicolinamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido)phenoxy)-N-methylpicolinamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	N-(3-trifluoromethyl-4-chlorophenyl)-N'-(4-(2-methylcarbamoyl pyridin-4-yl)oxyphenyl)urea	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)- N-methylpyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N2-methylpyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide;tosylic acid	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)-amino]phenoxy}-N-methylpyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methyl-pyridine-2-carboxamide	PC_216239
C21H16ClF3N4O3	464.8	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea	PC_216239
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	roscovitine	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Seliciclib	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	186692-46-6	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	R-Roscovitine	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(R)-roscovitine	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CYC202	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CYC-202	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CYC 202	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Seliciclib [INN]	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Seliciclib (Roscovitine)	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Roscovitine (Seliciclib,CYC202)	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NSC-701554	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	AL-39256	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	ROSCOVITINE(Seliciclib)	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CHEMBL14762	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	0ES1C2KQ94	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CHEBI:45307	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NSC701554	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	RRC	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Rosco	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NSC 701554	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	UNII-0ES1C2KQ94	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BMK1-E12	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	1unl	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	3ddq	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2R)-	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	1-Butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-, (2R)-	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	MFCD02266401	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	2a4l	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	SELICICLIB [MI]	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BiomolKI_000048	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	1-Butanol, (2R)-	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BiomolKI2_000054	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	M02443	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	SELICICLIB [WHO-DD]	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CBiol_002016	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Lopac0_001102	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	SCHEMBL94728	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BSPBio_001078	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	KBioGR_000418	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	KBioSS_000418	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	MLS006011028	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BDBM7533	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	cid_160355	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	GTPL6035	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Roscovitine, >=98% (TLC)	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BCBcMAP01_000013	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	KBio2_000418	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	KBio2_002986	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	KBio2_005554	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	KBio3_000795	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	KBio3_000796	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	DTXSID20171928	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	EX-A052	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BCPP000087	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Bio1_000302	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Bio1_000791	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Bio1_001280	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Bio2_000379	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Bio2_000859	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CC205	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	HMS1362F19	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	HMS1792F19	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	HMS1990F19	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	HMS3229N13	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	HMS3403F19	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	AMY10845	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BCP01760	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Roscovitine (Seliciclib, CYC202)	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	ZINC1649340	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	HSCI1_000092	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NSC800881	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	s1153	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	AKOS005146319	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	AC-2416	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CCG-100652	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	DB06195	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NSC-800881	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	IDI1_002134	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Roscovitine - CAS 186692-46-6	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	SMP1_000266	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	2,6,9-Trisubstituted purine deriv. 28	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCGC00094374-01	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCGC00094374-02	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCGC00094374-03	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCGC00094374-04	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCGC00094374-05	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCGC00094374-13	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCGC00094374-15	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	AS-56277	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	HY-30237	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	NCI60_036420	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	SMR004702823	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	SW220195-1	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	K00020	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	692R466	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	A813074	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	J-011999	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	J-524224	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	Q3494619	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BRD-K07691486-001-03-1	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	BRD-K07691486-001-05-6	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-[[6-(benzylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	(R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (R)-	PC_160355
C19H26N6O	354.4	CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]- 9H-purin-2-yl]amino]-(R)-1-butanol	PC_160355
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epothilone B	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Patupilone	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	152044-54-7	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(-)-Epothilone B	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epo B	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EPO 906	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epothilon B	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EPO906	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EPO 906A	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Patupilone [INN]	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	GNF-PF-193	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epithilone b	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Patupilone (Epothilone B)	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	CHEBI:31550	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EPO-906	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	UEC0H0URSE	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EPO-906A	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EpoB	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epothilone B (EPO906, Patupilone)	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epothilone-B	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	UNII-UEC0H0URSE	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	patupilona	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	patupilonum	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	NCGC00181131-01	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	MFCD02101921	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epothilone B, Synthetic	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Epothilone B(Patupilone)	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EPOTHILONE B [MI]	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	PATUPILONE [MART.]	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	SCHEMBL3808	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	PATUPILONE [WHO-DD]	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	CHEMBL94657	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	DTXSID4046862	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	CHEBI:94639	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	BCPP000100	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	EX-A1244	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	ZINC3951737	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	BDBM50103627	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	LMPK04000041	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	NSC684363	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	s1364	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Patupilone (EPO906, Epothilone B)	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	AKOS015951072	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	CCG-269760	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	CS-0714	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	DB03010	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	NSC-684363	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	NCGC00181131-04	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-(1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S-(1R*,3R*(E),7R*,10S*,11R*,12R*,16S*))-	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	AC-22614	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	HY-17029	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	E1378	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	F17412	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	150322-43-3 pound not389574-19-0	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	A809247	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	BRD-K48935217-001-01-3	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	Q27093987	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(-)-Epothilone B, from Sorangium cellulosum, >=98% (HPLC)	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-((E)-1-METHYL-2-(2-METHYL-1,3-THIAZOL-4-YL)VINYL)-4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	(1S,3S,7S,10R,11S,12S,16R)-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	PC_448013
C27H41NO6S	507.7	CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N	4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-, (1S,3S,7S,10R,11S,12S,16R)-	PC_448013
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	doxorubicin	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Adriamycin	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	23214-92-8	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Adriablastin	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxil	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Adriblastina	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicine	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicinum	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	14-Hydroxydaunomycin	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	14-Hydroxydaunorubicine	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicine [INN-French]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicinum [INN-Latin]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicina [INN-Spanish]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Hydroxydaunorubicin	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Adriamycin semiquinone	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	FI 106	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	CHEMBL53463	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicina	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	CHEBI:28748	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NSC-759155	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NDC 38242-874	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCI-C01514	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	80168379AG	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	ADM	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NSC-123127	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicin [USAN:INN:BAN]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	ThermoDox	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	111266-55-8	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOX	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	MLS000028393	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DM2	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicin-hLL1	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Adriblastina (TN)	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	CCRIS 739	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicin-P4/D10	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	HSDB 3070	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	EINECS 245-495-6	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicin (USAN/INN)	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicin-hLL1 conjugate	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Doxorubicin-P4/D10 conjugate	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	UNII-80168379AG	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOXORUBICIN [MI]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S,10S)-10-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracen	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Prestwick0_000438	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Prestwick1_000438	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Prestwick2_000438	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Prestwick3_000438	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOXORUBICIN [INN]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	ADR	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOXORUBICIN [HSDB]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOXORUBICIN [USAN]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Probes1_000151	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Probes2_000129	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOXORUBICIN [VANDF]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	SCHEMBL3243	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOXORUBICIN [MART.]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BSPBio_000456	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BSPBio_001031	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DOXORUBICIN [WHO-DD]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-(3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid)	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	1,2,3,4,6,11-Hexahydro-4beta,5,12-trihydroxy-4-(hydroxyacetyl)-10-methoxy-6,11-dioxonaphthacen-1beta-yl-3-amino-2,3,6-trideoxy-alpha-L-lyxohexopyranoside	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	10-((3-Amino-2,3,6-trideoxy-D-lyxohexopyranosyl)oxy)-8-glycolcyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Caelyx (liposomal doxorubicin)	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	SPBio_002395	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BPBio1_000502	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	cid_443939	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	GTPL7069	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Valrubicin impurity, doxorubicin	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DTXSID8021480	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BDBM22984	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BDBM32022	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	HMS2089H06	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S,10S)-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-8-GLYCOLOYL-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S-CIS)-	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	ZINC3918087	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	GR-319	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	HY-15142A	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	LMPK13050001	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	MFCD00869292	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	AKOS015951330	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DB00997	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	SMP1_000106	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCGC00024415-35	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCGC00024415-37	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCGC00024415-38	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCGC00024415-40	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCGC00024415-41	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCGC00024415-42	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	NCGC00024415-61	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BP-23114	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	14D928	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	A14403	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	C01661	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	D03899	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	EN300-120698	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Epirubicin hydrochloride impurity, doxorubicin-	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	H11954	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	Q18936	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	A816625	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BRD-K92093830-003-04-3	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	BRD-K92093830-003-25-8	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	VALRUBICIN IMPURITY, DOXORUBICIN [USP IMPURITY]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	EPIRUBICIN HYDROCHLORIDE IMPURITY C [EP IMPURITY]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	DAUNORUBICIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	EPIRUBICIN HYDROCHLORIDE IMPURITY, DOXORUBICIN- [USP IMPURITY]	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(7S,9R)-7-[(2S,4S,5S,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(7S,9S)-7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;(7S,9S)-7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S,10S)-10-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	(8S-cis)-10-[(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	1392315-46-6	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-	PC_31703
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N	5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-	PC_31703
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sunitinib	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	557795-19-4	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sutent	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SU11248	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SU-11248	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sunitinib Base	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Su-011248	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	sunitinibum	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SU 11248	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	(Z)-N-(2-(Diethylamino)ethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	342641-94-5	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sunitinib (INN)	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sunitinib [INN]	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-(2-(Diethylamino)ethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SU011248	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	CHEMBL535	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NSC-750690	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	CHEBI:38940	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NSC750690	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sunitinib, Free base	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NSC-736511	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	V99T50803M	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	n-(2-(diethylamino)ethyl)-5-((z)-(5-fluoro-1,2-dihydro-2-oxo-3h-indol-3-ylidene)methyl)-2,4-dimethyl-1h-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sunitinib (free base)	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sunitinib [INN:BAN]	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	MFCD09260778	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	UNII-V99T50803M	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	HSDB 7932	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	(Z)-Sunitinib	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	5-(5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)-amide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)-amide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-(2-(DIETHYLAMINO)ETHYL)-5-((Z)-(5-FLUORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sutent (free base)	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	KS-5022	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SUNITINIB [MI]	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SUNITINIB [VANDF]	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SCHEMBL8081	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SUNITINIB [WHO-DD]	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SUNITINIB [EMA EPAR]	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	BDBM4814	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	GTPL5713	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Sutent, Sunitinib, SU11248	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	CHEBI:91430	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	EX-A553	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	BCPP000057	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	K00588a	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	ZINC3964325	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	HY-10255A	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NSC800937	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	s7781	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	AKOS015908193	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	AKOS025312424	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	CCG-268638	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	CS-1670	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	DB01268	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NSC 736511	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NSC 750690	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NSC-800937	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NCGC00164631-02	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	NCGC00164631-04	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	BD164426	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	1,2,4,5-tetramethylpyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	AM20090630	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	95S194	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	D08552	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	EN300-323230	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	AB01273976-01	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	AB01273976-02	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	AB01273976_04	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	A822143	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	A830806	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Q417542	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SR-00000000005	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	SR-00000000005-2	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Q27163278	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	Z2568722545	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid(2-diethylamino-ethyl)-amide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-[2-(Diethylamino)ethyl]-5-(2-oxo-5-fluoroindoline-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	PC_5329102
C22H27FN4O2	398.5	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo	PC_5329102
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	S-Trityl-L-cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	2799-07-7	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	H-Cys(Trt)-OH	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(+)-S-Trityl-L-cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	S-Tritylcysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	Tritylcysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	NSC 83265	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	S-(Triphenylmethyl)-L-cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	3-Tritylthio-L-alanine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	Alanine, 3-(tritylthio)-, L-	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(R)-2-amino-3-(tritylthio)propanoic acid	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	CHEMBL392695	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	L-Alanine, 3-(tritylthio)-	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	S-Triphenylmethyl-L-cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	S-trityl cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	MFCD00002611	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(2R)-2-amino-3-tritylsulfanylpropanoic acid	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	NSC-83265	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	s-trityl-cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	trityl-l-cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	ZZD	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	L-Cysteine, S-(triphenylmethyl)-,	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	Cysteine(TRT)-OH	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	NSC 124663	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	BRN 2339626	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	NCIMech_000214	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(-)-S-Trityl-D-cysteine	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	MLS006010852	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	SCHEMBL768203	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(R)-2-AMINO-3-TRITYLSULFANYL-PROPIONIC ACID	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	BDBM23772	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	CHEBI:91461	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	D-Cysteine,s-(triphenylmethyl)-	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	S-Trityl-L-Cysteine (STLC), 1	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(+)-S-Trityl-L-cysteine, 97%	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	ZINC3861261	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	CCG-35305	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	MFCD07778076	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	s5522	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	AKOS015854129	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	AKOS015897303	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	AM81687	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	CS-W011818	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	HY-W011102	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	AS-11885	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	SMR004701775	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	2(R)-Amino-3-tritylsulfanylpropionic acid	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	T2522	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	EN300-72024	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	M03084	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	4-06-00-05051 (Beilstein Handbook Reference)	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	799S077	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	A819272	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	J-300091	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	(2R)-2-amino-3-[(triphenylmethyl)thio]propanoic acid	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	Q27163302	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	Z1143441519	PC_76044
C22H21NO2S	363.5	NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N	DLMYFMLKORXJPO-FQEVSTJZSA-N	N-(2CT Resin)-L-Cys(Trt)-OH (200-400 mesh, > 0.3 mmol/g)	PC_76044
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CYCLOPAMINE	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	11-Deoxojervine	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	4449-51-8	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	11-Deoxyjervine	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Jervine, 11-deoxo-	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CHEBI:4021	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CHEMBL254129	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	ZH658AJ192	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	NSC-734950	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)- (9CI)	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	(3beta,22S,23R)-17,23-epoxyveratraman-3-ol	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	UNII-ZH658AJ192	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	HSDB 3505	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CY8	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	[3H]-Cyclopamine	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	MFCD09878269	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CYCLOPAMINE [MI]	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CYCLOPAMINE [HSDB]	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	DSSTox_CID_23709	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	DSSTox_RID_80067	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	DSSTox_GSID_43709	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	SCHEMBL29153	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	BSPBio_001032	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	MLS006010945	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	DTXSID6043709	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	GTPL10328	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	EX-A952	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	BCPP000271	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	HMS1792D13	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	HMS1990D13	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	HMS3403D13	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	ZINC4098868	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Tox21_300632	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	BDBM50232973	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	NSC734950	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	s1146	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	AKOS024456709	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	BCP9000568	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CCG-208181	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CS-0633	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	NSC 734950	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	NCGC00163474-03	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	NCGC00163474-04	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	NCGC00163474-07	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	NCGC00254431-01	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	AC-34305	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	HY-17024	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	SMR001822854	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	CAS-4449-51-8	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	(3beta23R)-17,23-Epoxyveratraman-3-ol	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	F16272	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	SR-05000002357	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Veratraman-3-ol,23-epoxy-, (3-beta,23-beta)-	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Q-200904	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Q3271319	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	SR-05000002357-2	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	BRD-K58938839-001-03-8	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Veratraman-3-ol, 17,23-epoxy-, (3-beta,23-beta)-	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	(3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	(2'R,3S,3'R,3a'S,6aS,6bS,6'S,7a'R,11aS,11bR)-3',6',10,11b-tetramethyl-1,2,3,3a',4,4',5',6,6a,6b,6',7,7',7a',8,11,11a,11b-octadecahydro-3'H-spiro[benzo[a]fluorene-9,2'-furo[3,2-b]pyridin]-3-ol	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	11051-96-0	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Spiro(9H-benzo(a)fluorene-9,2-b)pyridin)-3-o l, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octa deca hydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-	PC_442972
C27H41NO2	411.6	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (3S,3'R,3a'S,6'S,6aS,6bS,7a'R,9R,11aS,11bR)-	PC_442972
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	927880-90-8	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CHIR-265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF-265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF 265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF265(CHIR-265)	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CHIR 265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF265 (CHIR-265)	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-Methyl-5-[[2-[5-(trifluoromethyl)-1h-imidazol-2-yl]-4-pyridinyl]oxy]-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	NVP-RAF265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CHIR265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF-265 (CHIR-265)	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	8O434L3768	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-Methyl-5-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)-4-pyridinyl)oxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzimidazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-Methyl-5-({2-[5-(Trifluoromethyl)-1h-Imidazol-2-Yl]pyridin-4-Yl}oxy)-N-[4-(Trifluoromethyl)phenyl]-1h-Benzimidazol-2-Amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-Methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	SCHEMBL686452	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CHEMBL558752	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	GTPL5674	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF 265 [WHO-DD]	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	BDBM31088	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CHEBI:91451	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	EX-A072	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	cid_11656518	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	DTXSID601025871	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	HMS3655B06	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	HMS3672I21	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	UNII-8O434L3768	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	AMY24172	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	RAF265 - CHIR-265	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	MFCD16659061	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	NSC754357	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	NSC800861	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	s2161	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	ZINC18710085	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CHIR 265 (RAF 265)	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	AKOS025117575	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CCG-264703	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CS-0232	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	DB05984	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	EX-8671	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	NSC-754357	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	NSC-800861	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	SB16578	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	NCGC00250407-01	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	NCGC00250407-04	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-methyl-5-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yl)oxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-methyl-5-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	AC-30291	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	AS-56738	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	HY-10248	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	FT-0746327	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	SW219923-1	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	A25488	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	J-504965	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	Q27075961	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	[1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	{1-Methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)-pyridin-4-yloxy]-1H-benzo-imidazol-2-yl}-(4-trifluoromethyl-phenyl)-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	{1-Methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)-pyridin-4-yloxy]-1H-benzoimidazol-2-yl}-(4-trifluoromethyl-phenyl)-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-methyl-5-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1-methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)pyridin-4-yloxy]-N-(4-trifluoromethylphenyl)-1H-benzo[d]imidazol-2-amine	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1H-Benzimidazol-2-amine, 1-methyl-5-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)-4-pyridinyl)oxy)-N-(4-(trifluoromethyl)phenyl)-	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	1H-Benzimidazol-2-amine, 1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	55J	PC_11656518
C24H16F6N6O	518.4	Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	CHIR-265;1-methyl-5-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine	PC_11656518
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	380843-75-4	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SKI-606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib (SKI-606)	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SKI 606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BOSULIF	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SKI606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib (USAN)	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib [USAN]	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SK-606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BOSUTINIB ISOMER 1	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	CHEMBL288441	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	CHEBI:39112	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	5018V4AEZ0	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SKI-606)	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib (as monohydrate)	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib [USAN:INN]	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	NCGC00241107-01	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	UNII-5018V4AEZ0	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	MFCD07367846	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib,SKI-606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BOSUTINIB [INN]	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib (SKI606)	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BOSUTINIB [MI]	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BOSUTINIB [VANDF]	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	PF-5208763	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib - SKI-606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BOSUTINIB [MART.]	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	EC 700-455-1	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BOSUTINIB [WHO-DD]	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	MLS006011212	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SCHEMBL158390	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	AMY266	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BDBM4552	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	GTPL5710	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Bosutinib, >=98% (HPLC)	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	DTXSID10861568	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	EX-A391	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BCPP000318	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HMS2043A22	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HMS3244A03	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HMS3244A04	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HMS3244B03	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HMS3651C03	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HMS3672K11	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HMS3743E09	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	2-PYRIDIN-2-YLETHYLACETATE	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	K00615a	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BCP01782	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	NSC765694	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	NSC799367	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SK 606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	ZINC22448983	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	AKOS015902521	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	AC-2413	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BCP9000446	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	CCG-208129	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	CS-0118	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	DB06616	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	NSC-765694	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	NSC-799367	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	PB30881	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	NCGC00241107-03	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	NCGC00241107-05	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	AS-11064	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	HY-10158	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SMR002530350	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	FT-0656231	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	S1014	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SKI606; SKI 606; SK-I606	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SW220197-1	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	A25014	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	D03252	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	AB01565836_03	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	EN300-7565041	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	843B754	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Q894611	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SR-01000941572	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	J-519931	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Q-200745	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SR-01000941572-1	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BRD-K99964838-001-01-0	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	BRD-K99964838-001-06-9	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	Z2216885221	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	3-QUINOLINECARBONITRILE, 4-((2,4-DICHLORO-5-METHOXYPHENYL)AMINO)-6-METHYL-1-PIPERAZINYL)PROPOXY)-	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	4-(2,4-Dichloro-5-methoxy-phenylamino)-6-methoxy-7-[3-(4-methyl-piperazin-1-yl)propoxy]quinoline-3-carbonitrile	PC_5328940
C26H29Cl2N5O3	530.4	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	SKI-606;4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile	PC_5328940
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluorouracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	fluorouracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	51-21-8	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-FU	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluoroplex	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Efudex	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Adrucil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Carac	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoropyrimidine-2,4(1H,3H)-dione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluoroblastin	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Queroplex	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Kecimeton	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Phthoruracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Carzonal	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Timazin	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Arumel	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Efudix	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluril	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluracilum	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Ulup	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoro-1H-pyrimidine-2,4-dione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracilum	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluro Uracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5 Fluorouracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoruracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Ftoruracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Efurix	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluri	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-2,4(1H,3H)-pyrimidinedione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoropyrimidine-2,4-dione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Effluderm (free base)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracilo	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2,4(1H,3H)-Pyrimidinedione, 5-fluoro-	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2,4-Dihydroxy-5-fluoropyrimidine	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Ro 2-9757	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Uracil, 5-fluoro-	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoropyrimidine-2,4-diol	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluor-2,4-pyrimidindiol	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoro uracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoro-uracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Ftouracyl	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2,4-Dioxo-5-fluoropyrimidine	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NSC 19893	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NSC-19893	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil, 5-	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-2,4-pyrimidinedione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouricil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Ro-2-9757	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Tolak	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluor-2,4-dihydroxypyrimidin	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	U-8953	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	191047-65-1	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FU	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	CHEMBL185	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2,4-Pyrimidinediol, 5-fluoro- (9CI)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	MLS000069498	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5 FU	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5FU	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluroblastin	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Phtoruracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	CHEBI:46345	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluoro-uracile	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluoro-uracilo	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	U3P01618RT	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NSC19893	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Faracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Cinco FU	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Ro-29757	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	191047-64-0	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	191115-88-5	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	URF	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-02	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracile	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Effluderm	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SMR000038082	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DSSTox_CID_634	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracile [DCIT]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoracil [German]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoracyl	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoruracil [German]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DSSTox_RID_75705	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DSSTox_GSID_20634	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracilum [INN-Latin]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracilo [INN-Spanish]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoropyrimidin-2,4-diol	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil (Adrucil)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil Cream	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	CAS-51-21-8	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluoroplex (TN)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluor-2,4-pyrimidindiol [Czech]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Adrucil (TN)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	CCRIS 2582	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Carac (TN)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluor-2,4-dihydroxypyrimidin [Czech]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HSDB 3228	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SR-01000075881	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluor-2,4(1H,3H)-pyrimidindion [Czech]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	EINECS 200-085-6	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluor-2,4(1H,3H)-pyrimidindion	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluouracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	inhibits thymilidate synthetase	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	UNII-U3P01618RT	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2,4-Dioxo-5-fluoropryimidine	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluorourasil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	AI3-25297	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluoro Uracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-florouracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluorouacil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-FU (TN)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	1upf	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5F-uracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	U 8953	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	1-fluoro-1h-pyrimidine-2,4-dione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Adrucil (ICN)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	MFCD00006018	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Adrucil (Fluorouracil)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil - Adrucil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil [USAN:USP:INN:BAN:JAN]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Spectrum_000841	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Opera_ID_134	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluorouracil, 99%	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Spectrum2_000076	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Spectrum3_000434	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Spectrum4_000557	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Spectrum5_000718	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	WLN: T6MVMVJ EF	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [MI]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Lopac-F-6627	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	F0151	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [INN]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [JAN]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	UPCMLD-DP130	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	EC 200-085-6	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	F 6627	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [HSDB]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [USAN]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SCHEMBL3646	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluorpyrimidin-2,4-diol	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [VANDF]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Folfox component fluorouracil	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Lopac0_000536	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	BSPBio_002048	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [MART.]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KBioGR_001253	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KBioSS_001321	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2(1H)-Pyrimidinone, 5-fluoro-4-hydroxy- (9CI)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	4(3H)-Pyrimidinone, 5-fluoro-2-hydroxy- (9CI)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	MLS002415705	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DivK1c_000054	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [USP-RS]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [WHO-DD]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [WHO-IP]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SPECTRUM1500305	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SPBio_000291	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-FLUOROURACIL [IARC]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoro-2,4-dioxo-pyrimidin	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-fluoro-pyrimidine-2,4-diol	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	GTPL4789	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DTXSID2020634	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	UPCMLD-DP130:001	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil (JP17/USP/INN)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS500C16	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KBio1_000054	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KBio2_001321	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KBio2_003889	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KBio2_006457	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KBio3_001268	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-2,3H)-pyrimidinedione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-FLUOROURACIL [WHO-IP]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2,4-Pyrimidinedione, 5-fluoro-	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NINDS_000054	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	BCPP000428	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [ORANGE BOOK]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS1920O18	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS2090I04	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS2091F19	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS3259O03	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS3261L13	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS3654K22	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS3715H03	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HMS3865L03	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Pharmakon1600-01500305	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [EP MONOGRAPH]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluorouracil, analytical standard	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	BCP02083	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	2,3H)-Pyrimidinedione, 5-fluoro-	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil (5-Fluoracil, 5-FU)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil (5-Fluoracil; 5-FU)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACIL [USP MONOGRAPH]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Tox21_110150	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Tox21_202335	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Tox21_300112	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Tox21_500536	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	BDBM50340677	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	CCG-39879	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DL-399	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NSC757036	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NSC816997	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	s1209	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	STK297802	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	STL367375	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	ZINC38212689	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUOROURACILUM [WHO-IP LATIN]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	AKOS000119162	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	AKOS003237897	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	AKOS008044307	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Tox21_110150_1	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	BCP9000239	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	CS-0993	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DB00544	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	KS-5129	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	LP00536	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NC00454	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NSC-757036	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NSC-816997	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SDCCGSBI-0050519.P005	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUCYTOSINE IMPURITY A [WHO-IP]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	IDI1_000054	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-01	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-03	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-04	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-05	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-06	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-07	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-08	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-09	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-10	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-11	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-12	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-15	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-16	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-24	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00015442-30	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00091349-01	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00091349-02	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00091349-03	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00091349-04	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00091349-05	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00091349-07	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00091349-08	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00254023-01	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00259884-01	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCGC00261221-01	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	1004-03-1	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-2,4-(1H,3H)-pyrimidinedione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	AC-11201	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	BF166014	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	EMTRICITABINE IMPURITY F [WHO-IP]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	HY-90006	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	NCI60_001652	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SRI-10792-04	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SRI-10792-05	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SRI-10792-06	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SRI-10792_07	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SRI-10792_08	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-1H-pyrimidine-2,4-dione(5FU)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluorouracil, >=99% (HPLC), powder	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SBI-0050519.P004	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-1H-pyrimidine-2,4-dione(5-FU)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DB-051923	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	DB-065735	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-1H-pyrimidine-2,4-dione (5-FU)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	A7567	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	AM20100252	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	EU-0100536	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FLUCYTOSINE IMPURITY A [EP IMPURITY]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FT-0601511	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FT-0668745	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FT-0695666	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FT-0695667	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	FT-0707652	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SW199617-3	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-1H-pyrimidine-2,4-dione(5-FUra)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	EN300-33909	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil, meets USP testing specifications	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	51F218	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	C07649	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	D00584	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluorouracil, Vetec(TM) reagent grade, >=99%	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Q238512	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	W-60379	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	(5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-1H-pyrimidine-2,4-dione(5-fluoro uracil)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SR-01000075881-1	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SR-01000075881-3	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	SR-01000075881-5	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	W-202929	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-1H-pyrimidine-2,4-dione (5-Fluorouracil)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	BRD-K24844714-001-02-1	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-FLUOROPYRIMIDIN-2,4(1H,3H)-DIONE [WHO-IP]	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Z275128052	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluoro-1H-pyrimidine-2,4-dione(5-fluorouracil)(5-FU)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	5-Fluorouracil, certified reference material, TraceCERT(R)	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil, British Pharmacopoeia (BP) Reference Standard	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil, European Pharmacopoeia (EP) Reference Standard	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil, United States Pharmacopeia (USP) Reference Standard	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	pyrimidine antimetabolite: inhibits nucleic acid replication; tetratogen	PC_3385
C4H3FN2O2	130.08	O=c1[nH]cc(F)c(=O)[nH]1	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	Fluorouracil, Pharmaceutical Secondary Standard; Certified Reference Material	PC_3385
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	878739-06-1	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	AZ 628	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	AZ-628	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	AZ628	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	3-(2-Cyanopropan-2-yl)-N-(4-methyl-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino)phenyl)benzamide	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	3-(2-cyanopropan-2-yl)-N-(4-methyl-3-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-ylamino)phenyl)benzamide	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	AZD628	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	3-(Cyano-dimethyl-methyl)-N-[4-methyl-3-(3-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylamino)-phenyl]-benzamide	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	CHEMBL2144069	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	560S6B5D79	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	3-(1-Cyano-1-methylethyl)-N-[3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-methylphenyl]benzamide	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	Benzamide, 3-(1-cyano-1-methylethyl)-N-(3-((3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino)-4-methylphenyl)-	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	3-(2-Cyanopropan-2-Yl)-N-{4-Methyl-3-[(3-Methyl-4-Oxo-3,4-Dihydroquinazolin-6-Yl)amino]phenyl}benzamide	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	UNII-560S6B5D79	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	B1E	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	MLS006010314	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	GTPL8475	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	SCHEMBL4209241	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	CHEBI:91354	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	DTXSID70236677	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	EX-A302	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	HMS3265I11	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	HMS3265I12	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	HMS3265J11	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	HMS3265J12	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	HMS3656F21	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	HMS3743G19	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	BCP02117	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	BDBM50430022	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	MFCD17392577	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	NSC782007	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	s2746	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	ZINC38226503	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	AKOS016011304	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	BCP9000346	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	CCG-264992	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	CS-0091	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	NSC-782007	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	SB19421	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	NCGC00250380-01	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	NCGC00250380-03	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	NCGC00250380-10	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	AC-26863	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	BS-42436	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	HY-11004	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	SMR004701380	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	FT-0700393	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	SW219448-1	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	J-510421	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	BRD-K05804044-001-01-1	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	Q27074677	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	1007871-84-2	PC_11676786
C27H25N5O2	451.5	Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	3-(1-Cyano-1-methylethyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide	PC_11676786
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	cisplatin	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	14913-33-8	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	trans-Dichlorodiamineplatinum(II)	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	azane;dichloroplatinum	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Platinum, diamminedichloro-, (SP-4-1)-	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	trans-Diamminedichloro platinum(II)	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	trans-Platinum(II)diammine dichloride	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	MFCD00011623	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	CACP	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	trans-Dichlorodiamineplatinum(II);Transplatin	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	SR-05000001586	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	IA call	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Trans-Platinum diammine dichloride	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin in water	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin,(S)	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin in DMSO	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	CPDC	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	DDP-H	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	PLATINOL (TN)	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	SPECTRUM1502107	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin (JP17/USP/INN)	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	cis-Diaminodichloroplatinum(II)	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	cis-Dichlorodiamine platinum(II)	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	HMS502M12	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	HMS1921J18	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	HMS2092D04	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	BCP01792	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	BCP18182	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	CCG-39901	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	AKOS005137969	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	NCGC00094962-01	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	NCGC00094962-02	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	NCGC00094962-03	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	FT-0777996	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	C06911	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	D00275	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	cis-Diammineplatinum(II) dichloride, crystalline	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	913C338	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Q412415	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	SR-01000076254	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	SR-01000076254-1	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	SR-05000001586-1	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	SR-05000001586-3	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Z3182781436	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin, European Pharmacopoeia (EP) Reference Standard	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin, United States Pharmacopeia (USP) Reference Standard	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	cis-Diamineplatinum(II) dichloride, >=99.9% trace metals basis	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin impurity A, European Pharmacopoeia (EP) Reference Standard	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Transplatin, United States Pharmacopeia (USP) Reference Standard	PC_5702198
Cl2H6N2Pt	300.05	Cl[Pt]Cl.N.N	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cisplatin, Pharmaceutical Secondary Standard; Certified Reference Material	PC_5702198
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	1268524-70-4	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(+)-JQ1	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(+)-JQ-1	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	JQ1 compound	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	JQ1	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	JQ-1	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(S)-JQ1	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	1MRH0IMX0W	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	C23H25ClN4O2S	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	CHEMBL1957266	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-Butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	3mxf	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	Bromodomain Inhibitor, (+)-JQ1	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	UNII-1MRH0IMX0W	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	4flp	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	4qzs	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid 1,1-dimethylethyl ester	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	MLS006011158	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	SCHEMBL881227	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	GTPL7511	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	CHEBI:95080	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	DTXSID20155309	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	EX-A457	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	CHEBI:137113	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	BDBM50365262	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	NSC760183	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	NSC764043	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	s7110	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	ZINC57318556	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	AKOS016344680	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(+)JQ-1	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	CCG-269306	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	CS-0581	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	JQ1 (+)	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	JQ1-(+)	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	NSC-760183	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	NSC-764043	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	NCGC00250412-01	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	NCGC00250412-15	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	NCGC00250412-21	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diaz	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	AC-32617	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	AS-16352	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	BP-21590	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	HY-13030	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	SMR004702930	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	BB 0262647	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(+)-JQ1, >=98% (HPLC)	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	EN300-7404173	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	A854208	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	Q3156953	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]di azepine-6-acetic acid 1,1-dimethylethyl ester	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate;(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-butyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0,2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate	PC_46907787
C23H25ClN4O2S	457.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DNVXATUJJDPFDM-KRWDZBQOSA-N	tert-butyl[(S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate	PC_46907787
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	PF-4708671	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	1255517-76-0	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	PF 4708671	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	PF4708671	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	2-((4-(5-Ethylpyrimidin-4-yl)piperazin-1-yl)methyl)-5-(trifluoromethyl)-1H-benzo[d]imidazole	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	PF-04708671	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	CHEMBL2134202	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	2-[[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-1H-benzimidazole	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	2-{[4-(5-Ethylpyrimidin-4-Yl)piperazin-1-Yl]methyl}-5-(Trifluoromethyl)-1h-Benzimidazole	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	2-[[4-(5-Ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1H-benzo[d]imidazole	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	5FI	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	MFCD18086922	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	MLS006011193	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	GTPL8036	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	SCHEMBL17714406	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	DTXSID10680074	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	EX-A248	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	HMS3263P20	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	HMS3651E14	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	HMS3673K17	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	BCP07961	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	Tox21_501279	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	BDBM50543601	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	s2163	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	ZINC71773472	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	AKOS024457939	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	AKOS025405226	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	CCG-222583	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	CS-1739	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	2-((4-(5-Ethylpyrimidin-4-yl)piperazin-1-yl)methyl)-6-(trifluoromethyl)-1H-benzo[d]imidazole	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	NCGC00261964-01	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	NCGC00263134-01	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	NCGC00263134-08	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	AC-33113	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	AS-16311	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	DA-46660	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	HY-15773	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	SMR004702962	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	FT-0673656	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	SW220233-1	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	EC-000.2522	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	PF 04708671	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	PF-4708671, >=98% (HPLC)	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	J-005240	PC_51371303
C19H21F3N6	390.4	CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	Q27088333	PC_51371303
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idelalisib	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	870281-82-6	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CAL-101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Zydelig	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	GS-1101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CAL 101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CAL101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	(S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	1146702-54-6	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idelalisib (CAL-101)	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CAL-101 (Idelalisib, GS-1101)	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	GS 1101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	(S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	YG57I8T5M0	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CHEMBL2216870	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CHEBI:82701	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idelalisib; CAL-101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	5-fluoro-3-phenyl-2-((1s)-1-(9h-purin-6-ylamino)propyl)-4(3h)-quinazolinone	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	5-fluoro-3-phenyl-2-[(1S)-1-(3H-purin-6-ylamino)propyl]quinazolin-4(3H)-one	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	5-Fluoro-3-Phenyl-2-[(1s)-1-(7h-Purin-6-Ylamino)propyl]quinazolin-4(3h)-One	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	1453810-72-4	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idelalisib [INN]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idelalisib [USAN:INN]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	UNII-YG57I8T5M0	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idealisib	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Zydelig (TN)	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	IDELALISIB [MI]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	IDELALISIB [JAN]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	IDELALISIB [USAN]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	IDELALISIB [VANDF]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	IDELALISIB [WHO-DD]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	MLS006010985	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idelalisib (JAN/USAN/INN)	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	SCHEMBL356400	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	GTPL6741	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	IDELALISIB [ORANGE BOOK]	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	SCHEMBL16782604	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	HSDB 8408	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	AMY9239	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CAL-101/CAL101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	EX-A330	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	GS-11CAL-101	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	BCPP000307	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	DTXSID701007266	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	BCP02532	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	EX-A1242	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	BDBM50403068	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	MFCD19443647	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NSC759224	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NSC762828	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NSC800771	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	s2226	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	ZINC13986658	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	AKOS022186334	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Idelalisib (CAL-101,GS-1101)	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	BCP9000471	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CCG-264949	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CS-0256	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	DB09054	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NSC-759224	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NSC-762828	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NSC-800771	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CAL-101 (GS-1101)	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NCGC00262603-01	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NCGC00262603-02	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	NCGC00262603-04	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	AC-28394	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	AC-36641	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	HY-13026	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	IC489666	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	SMR004702787	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	SW219823-1	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	A-1138	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	D10560	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	EN300-7412931	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	J-517532	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	Q5908266	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	BRD-K60866521-001-01-4	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	(S)-5-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)-propyl]-3H-quinazolin-4-one	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	4(3H)-QUINAZOLINONE, 5-FLUORO-3-PHENYL-2-((1S)-1-(1H-PURIN-6-YLAMINO)PROPYL)-	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	4(3H)-QUINAZOLINONE, 5-FLUORO-3-PHENYL-2-((1S)-1-(9H-PURIN-6-YLAMINO)PROPYL)-	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	4(3H)-Quinazolinone,5-fluoro-3-phenyl-2-[(1S)-1-(1H-purin-6-ylamino)propyl]-	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	5-fluoro-3-phenyl-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-3,4-dihydroquinazolin-4-one	PC_11625818
C22H18FN7O	415.4	CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N	40L	PC_11625818
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Dabrafenib	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	1195765-45-7	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Tafinlar	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Dabrafenib (GSK2118436)	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	GSK2118436A	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	UNII-QGP4HA4G1B	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	GSK 2118436	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	GSK-2118436	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Dabrafenib (Free Base)	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	GSK-2118436A	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	QGP4HA4G1B	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	1195765-45-7 (free base)	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	CHEBI:75045	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Dabrafenib (USAN)	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-(3-(5-(2-aminopyrimidin-4-yl)-2-(tert-butyl)thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(tert-butyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DABRAFENIB [USAN]	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Dabrafenib [USAN:INN]	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	BENZENESULFONAMIDE, N-(3-(5-(2-AMINO-4-PYRIMIDINYL)-2-(1,1-DIMETHYLETHYL)-4-THIAZOLYL)-2-FLUOROPHENYL)-2,6-DIFLUORO-	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-(3-(5-(2-AMINOPYRIMIDIN-4-YL)-2-TERT-BUTYL-1,3-THIAZOL-4-YL)-2-FLUOROPHENYL)-2,6-DIFLUOROBENZENESULFONAMIDE	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	P06	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DABRAFENIB [MI]	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DABRAFENIB [INN]	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DABRAFENIB [VANDF]	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DABRAFENIB [WHO-DD]	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	MLS006011052	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	SCHEMBL806377	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	GTPL6494	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	CHEMBL2028663	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DABRAFENIB, KB-57246	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DTXSID20152499	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	HMS3656D12	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	HMS3672G05	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	AMY10291	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	BCP09341	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	EX-A1320	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	BDBM50428286	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	FD5028	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	GSK 2118436A	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	MFCD17215684	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	NSC764134	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	NSC800083	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	ZINC68153186	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	(GSK2118436) pound notDabrafenib	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	AKOS024463285	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	AKOS032950004	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	CCG-264736	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	CS-0692	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	DB08912	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	NSC-764134	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	NSC-800083	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	SB13355	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	NCGC00346716-01	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	NCGC00346716-02	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	NCGC00346716-14	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	AC-25889	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	AS-19634	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	HY-14660	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(tert-butyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfo	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	SMR004702844	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	S2807	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	SW219503-1	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	D10064	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	AB01565833_02	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	A852141	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	J-004153	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	Q3011604	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	BRD-K09951645-066-01-2	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-{3-(5-(2-aminopyrimidin-4-yl)-2-(1,1-dimethylethyl)thiazol-4-yl)-2-fluorophenyl}-2,6- difluorobenzenesulfonamide	PC_44462760
C23H20F3N5O2S2	519.6	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N	N-{3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide	PC_44462760
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	docetaxel	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	114977-28-5	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Taxotere	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel anhydrous	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxol	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	RP-56976	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel Winthrop	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel [INN]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	EmDOC	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docefrez	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	NSC 628503	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	RP 56976	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	TXL	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Taxotere (TN)	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	NSC-628503	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CHEBI:4672	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	699121PHCA	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	NSC628503	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DSSTox_CID_20464	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DSSTox_RID_79497	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DSSTox_GSID_40464	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	(2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel, Trihydrate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	taxotel	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxolum	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Taxoel	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel Kabi	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel intermediate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	BIND 014	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Taxotere(R)	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CKD-810	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CAS-114977-28-5	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxolum [INN-Latin]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docecad	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	UNII-699121PHCA	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel Teva	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel Accord	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	MFCD00871399	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	docetaxel 114977-28-5	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DTXSID0040464	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	HSDB 6965	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	XRP-6976L	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	ANX-514	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	SDP-014	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	SID 530	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel (TN)	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel- Bio-X	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	NCGC00181306-01	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	NCGC00181306-02	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	5?,20-Epoxy-1,7?,10?-trihydroxy-9-oxotax-11-ene-2?,4,13?-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Taxotere (Aventis)	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel, anhydrous	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CID148124	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	N-debenzoyl-N-Boc-10-deacetyl taxol	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel - Taxotere	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DOCETAXEL MYLAN	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	RP56976	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	bind-014	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel (JAN/INN)	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DOCETAXEL [JAN]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DOCETAXEL [MI]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CHEMBL92	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DOCETAXEL [HSDB]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	SCHEMBL4419	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DOCETAXEL TEVA PHARMA	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	GTPL6809	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	BIND 014 [WHO-DD]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	BDBM36351	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	SYP-0704A	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	ZDZOTLJHXYCWBA-VCVYQWHSSA-	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	AMY4356	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	114977-28-5, Docetaxel	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	HMS2089K08	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	EX-A1206	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	HY-B0011	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Tox21_112781	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Tox21_113088	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	AC-383	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DOCETAXEL ANHYDROUS [WHO-DD]	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	ZINC85537053	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	AKOS015960718	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	AKOS024457953	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Tox21_112781_1	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CS-1144	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	DB01248	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	KS-1452	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Docetaxel, purum, >=97.0% (HPLC)	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	NCGC00181306-04	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	NCGC00242509-01	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	BD164373	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CABAZITAXEL METABOLITE (RP56976)	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	D4102	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	D07866	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	EN300-123047	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	AB01273941-01	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	AB01273941-02	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Q420436	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	SR-01000003023	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	W-60384	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Q-100074	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	SR-01000003023-5	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	BRD-K30577245-001-04-3	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	BRD-K30577245-341-01-9	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Z1546621742	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Anhydrous Docetaxel, European Pharmacopoeia (EP) Reference Standard	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	(2R,3S)-N-CARBOXY-3-PHENYLISOSERINE, N-TERT-BUTYL ESTER, 13-ESTER WITH 5.BETA.,20-EPOXY-1,2.ALPHA.,4,7.BETA.,10.BETA.,13.ALPHA.-HEXAHYDROXYTAX-11-EN-9-ONE 4-ACETATE 2-BENZOATE	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	[2aR-[2a?,4?,4a?,6?,9?(?R*,?S*),11?,12?,12a?,12b?]]-?-[[(1,1-Dimethylethoxy)carbonyl]amino]-?-hydroxy-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester benzenepropanoic acid	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	[acetoxy-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-trihydroxy-tetramethyl-oxo-[?]yl] benzoate	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	114915-20-7	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-	PC_148124
C43H53NO14	807.9	CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	Benzenepropanoic acid,1-dimethylethoxy)carbonyl]amino]-.alpha.-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (.alpha.R,.beta.S)	PC_148124
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	gemcitabine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	95058-81-4	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2'-Deoxy-2',2'-difluorocytidine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2',2'-Difluorodeoxycytidine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Cytidine, 2'-deoxy-2',2'-difluoro-	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	dFdC	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GEMCITABINE HYDROCHLORIDE	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	103882-84-4	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2',2'-difluoro-2'-deoxycytidine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	LY188011	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcitabine free base	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	LY-188011	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	95058-81-4 (free base)	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	NSC 613327	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	B76N6SBZ8R	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	LY 188011	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	4-Amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gamcitabine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	CHEBI:175901	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	NSC-613327	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcitabina	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcitabinum	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Folfugem	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcel	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Zefei	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GemLip	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcitabinum [INN-Latin]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcitabina [INN-Spanish]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemzar (hydrochloride)	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	SR-05000001491	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcitabine (USAN/INN)	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	UNII-B76N6SBZ8R	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2',2'-DiF-dC	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Gemcitabine [USAN:INN:BAN]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	CCRIS 8984	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	MFCD00869720	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	HSDB 7567	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2vpp	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	gemcitabine (Gemzar)	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	4pd5	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GEMCITABINE [MI]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GEMCITABINE [INN]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2'-Deoxy-.beta.-D-2',2'-difluorocytidine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GEMCITABINE [HSDB]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GEMCITABINE [USAN]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	CHEMBL888	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GEMCITABINE [VANDF]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	SCHEMBL4295	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GEMCITABINE [WHO-DD]	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GTPL4793	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	DTXSID3040487	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2'deoxy-2',2'-difluorocytidine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	BCPP000219	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	BDBM429521	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	HMS2089P10	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	HMS3715N07	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	2`-Deoxy-2`,2`-difluorocytidine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	med.21724, Compound Gemcitabine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	DL-215	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	s1714	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	ZINC18279854	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	AKOS015920303	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Cytidine, 2'-deoxy-2',2'-difluoro-2'-Deoxy-.beta.-D-2',2'-difluorocytidine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	BCP9000721	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	CCG-221183	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	CS-0643	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	DB00441	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	GS-3582	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	4-Amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl) tetrahydrofuran-2-yl]-1H-pyrimidin-2-one	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	NCGC00168784-02	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	NCGC00168784-08	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	NCGC00168784-12	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	HY-17026	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	G0544	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	SW199649-2	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	C07650	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	D02368	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	EN300-267822	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	AB01274777-01	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	AB01274777-02	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	AB01274777_05	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	AB01274777_06	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	882G844	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Q414143	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	J-001056	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	SR-05000001491-1	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	SR-05000001491-2	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	BRD-K15108141-001-04-1	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	Z1741982024	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	1-(2-deoxy-2,2-difluoro-|A-D-erythropentofuranosyl)cytosine	PC_60750
C9H11F2N3O4	263.2	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N	4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one	PC_60750
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Ibrutinib	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	936563-96-1	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	PCI-32765	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IMBRUVICA	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	PCI 32765	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Ibrutinib (PCI-32765)	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	PCI-32765 (Ibrutinib)	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	CRA-032765	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Pc-32765	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1X70OSD4VX	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	PCI-32765-00	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	CHEBI:76612	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	PCI32765	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	2-Propen-1-one, 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo-[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one.	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1- yl)prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Ibrutinib [USAN]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Ibrutinib [USAN:INN]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	UNII-1X70OSD4VX	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	ibrutinibum	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	JNJ 02	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Imbruvica (TN)	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Ibrutinib- Bio-X	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-{(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1- yl}prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	CRA 032765	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IBRUTINIB [INN]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IBRUTINIB [JAN]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IBRUTINIB [MI]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Ibrutinib (JAN/USAN)	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IBRUTINIB [VANDF]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IBRUTINIB [WHO-DD]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Imbruvica; PCI-32765	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	MLS006010041	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	SCHEMBL201859	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	GTPL6912	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IBRUTINIB [ORANGE BOOK]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	CHEMBL1873475	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	HSDB 8260	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	DTXSID60893450	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	EX-A066	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	AMY27873	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	BDBM50357312	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	MFCD20261150	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	NSC800769	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	ZINC35328014	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	AKOS022185476	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	DB09053	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	EX-5960	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	NSC-800769	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	NCGC00187912-01	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	NCGC00187912-02	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	NCGC00187912-03	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	NCGC00187912-12	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	AC-26942	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	BI164531	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	HY-10997	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	SMR004701213	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	SW218096-2	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	EN300-97039	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	D10223	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	A1-01649	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	J-523872	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Q5984881	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	Z1302446275	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	(R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-ylprop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one1-[(3R)-3-[4-AMino-3-(4-phenoxyphenyl)pyrazolo[3, 4-d]pyriMidin-1-yl]	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3, 4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	IbrutinibCI-32765mbruvica(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	PC_24821094
C25H24N6O2	440.5	C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	piperidin-1-yl]prop-2-en-1-one1-{3-[4-AMino-3-(4-phenoxy-phenyl)-pyrazolo[3,4-d]pyriMidin-1-yl]-piperidin-1-yl}-propenone	PC_24821094
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	TGX-221	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	663619-89-4	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	TGX221	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	Tgx 221	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	7-methyl-2-morpholino-9-(1-(phenylamino)ethyl)-4H-pyrido[1,2-a]pyrimidin-4-one	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	CHEMBL1972466	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	7-methyl-2-(4-morpholinyl)-9-[1-(phenylamino)ethyl]-4H-Pyrido[1,2-a]pyrimidin-4-one	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	7-Methyl-2-(morpholin-4-yl)-9-[1-(phenylamino)ethyl]pyrido[1,2-a]pyrimidin-4-one	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	6L28AW98TH	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	9-(1-Anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	4H-Pyrido(1,2-a)pyrimidin-4-one, 7-methyl-2-(4-morpholinyl)-9-(1-(phenylamino)ethyl)-	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	7-Methyl-2-(morpholin-4-yl)-9-(1-(phenylamino)ethyl)pyrido(1,2-a)pyrimidin-4-one	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	UNII-6L28AW98TH	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	Kinome_3610	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	MLS006010987	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	SCHEMBL902952	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	GTPL8244	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	CHEBI:91428	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	BCPP000046	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	DTXSID101025688	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HMS3229L09	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HMS3244E15	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HMS3244E16	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HMS3244F15	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HMS3295M19	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HMS3654K14	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HMS3744G09	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	BCP01971	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	EX-A1105	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	BDBM50447094	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	MFCD11113209	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	s1169	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	AKOS022177036	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	CCG-101299	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	CS-0110	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	SB19244	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	NCGC00346495-01	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	NCGC00346495-12	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	PI 3-K beta Inhibitor VI, TGX-221	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	AC-33159	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	AS-16240	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	HY-10114	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	SMR004702789	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	FT-0767048	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	SW218249-2	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	A19415	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	J-519312	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	BRD-A41692738-001-01-9	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	Q27088979	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	PI 3-Kbeta Inhibitor VI, TGX-221 - CAS 663619-89-4	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	7-methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]-pyrimidin-4-one	PC_9907093
C21H24N4O2	364.4	Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	7-methyl-2-morpholin-4-yl-9-[1-(phenylamino)ethyl]pyrido[2,1-b]pyrimidin-4-one	PC_9907093
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	vinblastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	865-21-4	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vincaleucoblastin	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vincaleukoblastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vinblastina	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Velban	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Velbe	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vinblastinum	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vinblastin	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	CHEMBL159	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	5V9KLZ54CY	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vincoblastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Rozevin	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Nincaluicolflastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NSC-47842	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vinblastina [DCIT]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vinblastine [INN:BAN]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	Vinblastinum [INN-Latin]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VR-8	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VLB	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	CCRIS 9002	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VINBLASTINE [INN]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	HSDB 3263	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NCI-C04842	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NDC 0002-1452-01	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	EINECS 212-734-0	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NSC 47842	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	UNII-5V9KLZ54CY	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	cid_5388983	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	2'-Epivinblastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	[3H]-Vinblastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	1z2b	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VINBLASTINE [MI]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	(2'R)-Vincaleukoblastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VINBLASTINE [HSDB]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VINBLASTINE [VANDF]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	SCHEMBL3628	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	BIDD:PXR0201	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	BSPBio_001228	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VINBLASTINE [WHO-DD]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	(3aR-(3aalpha,4beta,5beta,5abeta,9(3R*,5S*,7R*,9S*),10bR*,13aalpha))-methyl 4-(acetyloxy)-3a-ethyl-9-(5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-yl)-3a,4,5,5a,6,11,12,13a-octahydro-5-hydroxy-8-methoxy-6-methyl-1H-indolizino(8,1-cd)carbazole-5-carboxylate	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	1H-Indolizino(8,1-cd)carbazole-5-carboxylic acid, 4-(acetyloxy)-3a-ethyl-9-(5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-yl)-3a,4,5,5a,6,11,12,13a-octahydro-5-hydroxy-8-methoxy-6-methyl-, methyl ester, (3aR-(3aalpha,4beta,5beta,5abeta,9(3R*,5S*,7R*,9S*),10bR*,13aalpha))-	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	GTPL6851	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	132142-72-4	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	72401-36-6	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((5S,7R,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	BDBM50012278	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NSC816570	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	ZINC85432544	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	AKOS015965500	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	CS-1336	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	DB00570	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NSC-816570	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NCGC00022585-04	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NCGC00022585-05	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	NCGC00485975-02	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	AC-24191	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	AS-15821	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	HY-17418	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	EN300-19874057	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VINDESINE SULFATE IMPURITY B [EP IMPURITY]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	VINCRISTINE SULFATE IMPURITY H [EP IMPURITY]	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	BRD-K01188359-001-02-0	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	BRD-K01188359-065-02-5	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	(2alpha,2'beta,3alpha,5beta,19beta)-vincaleukoblastine	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	(2ALPHA,2''''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_13342
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	vinblastine	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	865-21-4	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	Vincaleukoblastine	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	Vinblastinum	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	CHEBI:27375	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	Vinblastine (INN)	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	(+)-vinblastine	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	Vinblastina (TN)	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	NCGC00181127-01	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	VLB	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	SCHEMBL6146	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	CHEMBL22969	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	DTXSID8021430	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	SCHEMBL17813675	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	BDBM227643	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	HMS2090K05	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	132142-72-4	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	72401-36-6	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	ZINC85555528	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	AKOS015969678	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	NCGC00181127-02	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	NCGC00263548-07	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	NCI60_004200	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	C07201	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	D08675	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	EN300-130971	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	AB01273959-01	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	AB01273959-02	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	865V214	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	Q282629	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	Q-100868	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-XQKSVPLYSA-N	methyl acetoxy-ethyl-(ethyl-hydroxy-methoxycarbonyl-[?]yl)-hydroxy-methoxy-methyl-[?]carboxylate	PC_241903
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	vinblastine	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	Vincaleukoblastine	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	865-21-4	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	Neuro_000020	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	CHEMBL4788494	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	CHEBI:125454	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	LSM-36946	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	STL453006	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	DB-050310	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	BRD-A85648045-001-01-6	PC_3823887
C46H58N4O9	811.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-UHFFFAOYSA-N	Q27216072	PC_3823887
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	vincristine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	22-Oxovincaleukoblastine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Leurocristine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	57-22-7	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vinkristin	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincrystine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	leucristine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	vincristin	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincristina [DCIT]	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	rel-Vincristine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincristinum [INN-Latin]	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Tecnocris	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	CHEBI:28445	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	NSC-67574	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Kyocristine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincristine (INN)	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	VIN	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	NCGC00163700-01	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincrstine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Leurocristine sulfate	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	DSSTox_CID_12278	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	DSSTox_RID_78909	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	DSSTox_GSID_32278	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Oncotcs	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	(+)-Vincristine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	CAS-57-22-7	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Tecnocris (TN)	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	LCR	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	VCR	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	1217704-92-1	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincasar (1:1 sulfate salt)	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Oncovin (1:1 sulfate salt)	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincrex (1:1 sulfate salt)	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	oncovin (brand name)	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	22-oxo-vincaleukoblastine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	SCHEMBL3709	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	CHEMBL90555	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	GTPL6785	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	DTXSID1032278	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	HMS2090E19	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Tox21_112067	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	BDBM50139772	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	ZINC85432549	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Lilly 37231 (1:1 sulfate salt)	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Tox21_112067_1	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	NCGC00163700-02	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	NCGC00163700-04	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	NCGC00263543-01	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	NCI60_026703	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	SRI-10749-04	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	SRI-10749-05	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	C07204	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	D08679	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	866V483	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Q408977	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	Vincaleukoblastine, 22-oxo- 22-Oxovincaleukoblastine	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_5978
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	vincristine	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Leurocristine	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vincaleukoblastine, 22-oxo-	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vinkristin	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	57-22-7	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vincrystine	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	(+)-Vincristine	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	5J49Q6B70F	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vincristina [DCIT]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Onkocristin	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Citomid	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Farmistin	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Oncovine	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vincristinum [INN-Latin]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Oncotcs	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Tecnocris	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vincristina	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vincristinum	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	MLS000069706	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Onco TCS	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	VINCRISTINE [INN]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	Vincristine [INN:BAN]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	UNII-5J49Q6B70F	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	CCRIS 5763	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	HSDB 3199	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	VCR	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	NCI-C04864	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	EINECS 200-318-1	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	22-Oxovincaleukoblastin	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	VINCRISTINE [MI]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	LCR	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	VINCRISTINE [HSDB]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	VINCRISTINE [VANDF]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	BIDD:PXR0171	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	VINCRISTINE [WHO-DD]	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	SCHEMBL233849	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	CHEMBL499458	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	BDBM38872	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	cid_5388992	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	HY-N0488A	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	s9555	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	ZINC85537024	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	AKOS030568344	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	AKOS032960283	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	DB00541	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	NCGC00186633-01	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	NCGC00386339-01	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	AS-77595	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	CS-0008282	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	AB01274767-01	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	AB01274767_02	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	EN300-27000888	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	BRD-K12251893-065-04-7	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	BRD-K82109576-065-21-0	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	132142-73-5	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CFWMRBGOSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_5388993
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-DLBZMDDPSA-N	vincristine	PC_45358158
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-DLBZMDDPSA-N	57-22-7	PC_45358158
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-DLBZMDDPSA-N	AKOS015965501	PC_45358158
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-DLBZMDDPSA-N	AC-20336	PC_45358158
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-DLBZMDDPSA-N	AC-34054	PC_45358158
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-UHFFFAOYSA-N	Vincristine (free base)	PC_3717450
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-UHFFFAOYSA-N	vincristine	PC_3717450
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-UHFFFAOYSA-N	Leurocristine	PC_3717450
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-UHFFFAOYSA-N	57-22-7	PC_3717450
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-UHFFFAOYSA-N	CHEMBL1740907	PC_3717450
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-UHFFFAOYSA-N	NCGC00163700-03	PC_3717450
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-UHFFFAOYSA-N	DB-050207	PC_3717450
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CUGARIAGSA-N	vincristine	PC_6324671
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CUGARIAGSA-N	SCHEMBL14177979	PC_6324671
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CUGARIAGSA-N	SBI-0206815.P001	PC_6324671
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CUGARIAGSA-N	AB01563102_01	PC_6324671
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-CUGARIAGSA-N	BRD-A60414806-065-01-6	PC_6324671
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)(C([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-BWGBWKQMSA-N	vincristine	PC_71296921
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)(C([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-BWGBWKQMSA-N	Leurocristine;NSC-67574;22-Oxovincaleukoblastine	PC_71296921
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)(C([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-BWGBWKQMSA-N	57-22-7	PC_71296921
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-FUOYXGTBSA-N	vincristine	PC_62313
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-FUOYXGTBSA-N	SCHEMBL13840950	PC_62313
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-FUOYXGTBSA-N	57-22-7	PC_62313
C46H56N4O10	825.0	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-HAVDPRAOSA-N	vincristine	PC_134755071
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AZD7762	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	860352-01-8	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AZD-7762	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	(S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AZD 7762	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	3-(Carbamoylamino)-5-(3-Fluorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-2-Carboxamide	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	860352-01-8 (free base)	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	CHEMBL2041933	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	5D822Y3L1H	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AZD7762 hydrochloride	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	5-(3-Fluorophenyl)-N-[(3s)-3-Piperidyl]-3-Ureido-Thiophene-2-Carboxamide	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	2-Thiophenecarboxamide, 3-((aminocarbonyl)amino)-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	UNII-5D822Y3L1H	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	YDJ	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	GTPL7713	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	SCHEMBL1127614	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AZD 7762 [WHO-DD]	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	CHEBI:131156	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	BCPP000366	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	DTXSID001025611	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	EX-A1548	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	WZB09478	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	BDBM50389803	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NSC757148	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NSC799350	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	s1532	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	ZINC33359230	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AKOS005266646	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	BCP9000356	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	CCG-264907	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	CS-0025	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	DB12242	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NSC-757148	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NSC-799350	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NCGC00242481-01	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NCGC00242481-02	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NCGC00242481-03	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	NCGC00242481-08	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AC-24499	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	AS-16691	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	HY-10992	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	SW218139-2	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	C76784	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	J-502468	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	Q27074790	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	1-(2-((S)-piperidin-3-ylcarbamoyl)-5-(3-fluorophenyl)thiophen-3-yl)urea	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	3-((Aminocarbonyl)amino)-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-2-thiophenecarboxamide	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	5-(3-Fluoro-phenyl)-3-ureido-thiophene-2-carboxylic acid (S)-Piperidin-3-ylamide	PC_11152667
C17H19FN4O2S	362.4	NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	1019773-80-8	PC_11152667
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AZD8055	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	1009298-09-2	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AZD-8055	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AZD 8055	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	(5-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	[5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	970JJ37FPW	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	CHEMBL1801204	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AZ-12600000	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol.	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	(5-{2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	UNII-970JJ37FPW	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	(5-(2,4-Bis((S)-3-methylmorpholino)pyrido-[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	MLS006010169	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	SCHEMBL298416	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	GTPL7714	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	CHEBI:91329	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	EX-A044	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AZD 8055 [WHO-DD]	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	DTXSID001020704	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AMY24189	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	BCP02171	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	EX-A1549	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	BDBM50348452	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	MFCD16660191	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	NSC758871	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	NSC799351	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	s1555	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	ZINC52509466	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AKOS016009126	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	BCP9000367	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	CCG-264912	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	CS-0067	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	DB12774	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	NSC-758871	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	NSC-799351	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	SS-4787	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-phenyl]methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	AC-28424	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	Benzenemethanol, 5-[2,4-bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	HY-10422	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	SMR004701277	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	SW218287-2	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	J-502775	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	BRD-K69932463-001-02-3	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	Q27074792	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	[5-[2,4-bis((3s)-3-methylmorpholin -4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	{5-[2,4-bis(3S)(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl}methanol	PC_25262965
C25H31N5O4	465.5	COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CO	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	5-[2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy benzenemethanol	PC_25262965
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	252917-06-9	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR-99021	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR99021	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR 99021	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	laduviglusib	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CT99021	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CT-99021	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	GSK-3 Inhibitor XVI	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR-911	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-((2-((4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CT 99021	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[2-[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamino]ethylamino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	Laduviglusib (GMP)	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	FX03	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	Laduviglusib [USAN]	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR-99021 (CT99021)	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHR00921	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-((2-((4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	234CMT4GK4	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHEMBL412142	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	252917-06-9 (free base)	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHR-00921	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	3-Pyridinecarbonitrile, 6-((2-((4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl)amino)ethyl)amino)-	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	3-PYRIDINECARBONITRILE, 6-[[2-[[4-(2,4-DICHLOROPHENYL)-5-(5-METHYL-1H-IMIDAZOL-2-YL)-2-PYRIMIDINYL]AMINO]ETHYL]AMINO]-	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	UNII-234CMT4GK4	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	C22H18Cl2N8	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR 911	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-([4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino)ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	65C	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	Kinome_3785	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	LADUVIGLUSIB [INN]	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	SCHEMBL151139	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	GTPL8014	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	TB4423-GMP	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHEBI:91091	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	DTXSID90179931	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	EX-A535	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BCPP000285	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	HMS3295O15	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BCP01901	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BDBM50325983	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	HY-10182G	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	MFCD11846251	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	s1263	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	WHO 11473	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	ZINC29053046	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	AKOS015904410	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	AKOS026750421	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	AM81240	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BCP9000520	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CCG-269402	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CS-0181	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	SB19266	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR-99021,CT99021	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	NCGC00250379-01	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	NCGC00250379-03	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	NCGC00250379-09	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	NCGC00250379-21	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[2-[[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	AC-25532	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	AS-16523	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	HY-10182	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CHIR99021, >=98% (HPLC)	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CS-0615620	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	FT-0700271	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	A25048	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	GSK-3 Inhibitor XVI - CAS 252917-06-9	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	J-015915	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	J-518185	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BRD-K16189898-001-02-9	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BRD-K16189898-001-04-5	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BRD-K16189898-001-09-4	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BRD-K16189898-001-10-2	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BRD-K16189898-001-11-0	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	BRD-K16189898-001-15-1	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	Q27075965	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamino)ethylamino)nicotinonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl) -5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol -2-yl)-pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)-pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino }ethyl)amino]pyridine-3-carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3 -carbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[(2-{[4-[2,4-Dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]NH}ethyl)NH]pyridine-3-CN	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[[2-[[4-(2,4-Dichlorophenyl)-5-(5 -methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-2-imidazolyl)-2-pyrimidinyl]amino]ethylamino]-3-pyridinecarbonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-{2-[4-(2,4-dichloro-phenyl)-5-(4-methyl-1h-imidazol-2-yl)-pyrimidin-2-ylamino]-ethylamino}-nicotinonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	6-{2-[4-(2,4-dichloro-phenyl)-5-(5-methyl-1h-imidazol-2-yl)-pyrimidin-2-ylamino]-ethylamino}-nicotinonitrile	PC_9956119
C22H18Cl2N8	465.3	Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	CT99021;6-[2-[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamino]ethylamino]pyridine-3-carbonitrile	PC_9956119
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	etoposide	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	33419-42-0	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VePesid	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Toposar	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	trans-Etoposide	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Lastet	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(-)-Etoposide	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VP-16	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Zuyeyidal	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposidum	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposido	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposidum [INN-Latin]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VP-16-213	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide (VP16)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VP 16-213	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Vepesid J	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Sintopozid	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4-Demethylepipodophyllotoxin beta-D-ethylideneglucoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	NSC-141540	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide (VP-16)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VP 16 (pharmaceutical)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VP 16	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	6PLQ3CP4P3	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Epipodophyllotoxin VP-16213	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	CHEMBL44657	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	CHEBI:4911	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	NK 171	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Demethylepipodophyllotoxin-beta-D-ethylideneglucoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	NSC 141540	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etosid	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	[1,3]benzodioxol-8-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposido [INN-Spanish]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etopophos (phosphate salt)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etopol	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VP 16213	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	NSC141540	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	SMR000112002	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	CCRIS 2392	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	HSDB 6517	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	VePESID (TN)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	EINECS 251-509-1	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	MFCD00869325	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	UNII-6PLQ3CP4P3	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	DTXSID5023035	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide,(S)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	EVP	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-(1R)-ethylidene-.beta.-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4'-O-Demethyl-1-O-(4,6-O-ethylidene-beta-D-glucopyranosyl)epipodophyllotoxin	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-beta-D-glucopyranoside)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide [USAN:USP:INN:BAN:JAN]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide; VP-16	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	CPD000112002	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Epipodophyllotoxin-beta-D-ethyliden-glucoside, 4'-demethyl-	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [INN]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [JAN]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [MI]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [HSDB]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [IARC]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [USAN]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Prestwick3_000396	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [VANDF]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [MART.]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [USP-RS]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [WHO-DD]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [WHO-IP]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	SCHEMBL4259	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BSPBio_000611	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	9-((4,6-O-Ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4- hydroxy-3,4-dimethyloxyphenyl)furo (3',4'':6,7) naptho-(2,3-d)-1,3-dioxol-6 (5aH)-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	MLS000049957	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	MLS001074951	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	MLS001424283	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	MLS002153463	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	MLS002207239	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	MLS002222184	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide (JP17/USP/INN)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BPBio1_000673	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	GTPL6815	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [EP IMPURITY]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [ORANGE BOOK]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [EP MONOGRAPH]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [USP IMPURITY]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDE [USP MONOGRAPH]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ETOPOSIDUM [WHO-IP LATIN]	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	etoposide4-o-b-d-galactopyranoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	HMS2052N05	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	HMS2089F14	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	HMS2096O13	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	HMS2232L03	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	HMS3713O13	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5R,5aR,8aR,9S)-9-(((4aR,6R,7R,8R,8aS)-7,8-Dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	EX-A1207	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	ZINC3938684	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BDBM50127140	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	s1225	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide - CAS 33419-42-0	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	AKOS007930275	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BCP9000669	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	CCG-101165	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	CS-1774	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	DB00773	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide, synthetic, >=98%, powder	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	NC00415	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	SDCCGSBI-0050405.P002	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4'-Demethyl-epipodophyllotoxin 9-[4,6-O-(R)-ethylidene-beta-D-glucopyranoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	NCGC00179504-02	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	AS-35312	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BE164434	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4,6-O-(1R)-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one-, 9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl), (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	HY-13629	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	SBI-0051910.P002	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	AB00438905	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	EN300-97099	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	C01576	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	D00125	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	AB00438905-17	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	AB00438905-18	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	AB00438905_19	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	419E420	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Q418817	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	SR-01000763196	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	SR-01000763196-3	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BRD-K37798499-001-02-5	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BRD-K37798499-001-05-8	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BRD-K37798499-001-10-8	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BRD-K37798499-001-14-0	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	BRD-K37798499-001-27-2	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide, British Pharmacopoeia (BP) Reference Standard	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Z1304065033	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide, European Pharmacopoeia (EP) Reference Standard	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide, United States Pharmacopeia (USP) Reference Standard	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4''-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	4'-DEMETHYLEPIPODOPHYLLOTOXIN 9-(4,6-O-(R)-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSIDE)	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	Etoposide for system suitability, European Pharmacopoeia (EP) Reference Standard	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5R,5AR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahy	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5R,5AR,8AR,9S)-9-((4,6-O-((1R)-ETHANE-1,1-DIYL)-.ALPHA.-D-GLUCOPYRANOSYL)OXY)-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-6(5AH)-ONE	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5R,5aR,8aR,9S)-9-[[4,6-O-(1R)-Ethylidene-beta-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	[5R-[5?,5a?,8a?,9?(R*)]]-9-[(4,6-?-Ethylidene-?-D-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-(5aH)-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	121471-01-0	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3'',4'''':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one	PC_36462
C29H32O13	588.6	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N	FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE-, 9-((4,6-O-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL), (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.(R*)))-	PC_36462
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	MK-2206	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	1032349-93-1	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	MK 2206	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	MK2206	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	MK-2206 free base	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	51HZG6MP1K	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	CHEMBL1079175	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	CHEBI:67271	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NCGC00186465-01	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	DSSTox_CID_28874	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	DSSTox_RID_83143	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	DSSTox_GSID_48948	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	UNII-51HZG6MP1K	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-;1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-;8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-ol	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-(4-(1-Aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthy ridin-3(2H)-one	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	CAS-1032350-13-2	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	1032349-77-1	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-(4-(1-AMINOCYCLOBUTYL)PHENYL)-9-PHENYL-1,2,4-TRIAZOLO(3,4-F)(1,6)NAPHTHYRIDIN-3(2H)-ONE	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	SCHEMBL530721	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	MK2206 2HCl	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	GTPL7945	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	DTXSID3048948	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	BCP20200	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	Tox21_113368	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	BDBM50313650	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NSC756656	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NSC800794	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NSC839864	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	ZINC36382821	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	AKOS032945686	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	Tox21_113368_1	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	BCP9000938	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	MK 2206;MK2206	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NSC-756656	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NSC-800794	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NSC-839864	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	SB16805	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NCGC00186465-02	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NCGC00186465-03	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NCGC00186465-04	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NCGC00186465-08	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	DB-058959	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	FT-0738942	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	A25240	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	MK2206;MK 2206;MK-2206 dihydrochloride	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	cas:1032350-13-2;MK 2206	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	BRD-K68065987-300-02-6	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	Q25100065	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl-1,2,4-triazolo[3,4-f][1,6]naphthyridin-3(2H)-one dihydrochloride;MK-2206 Dihydrochloride	PC_24964624
C25H21N5O	407.5	NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	ULDXWLCXEDXJGE-UHFFFAOYSA-N	8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-3(2H)-one	PC_24964624
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	503468-95-9	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU 7441	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU7441	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU-7441	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	KU-57788	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-(4-Dibenzothienyl)-2-(4-morpholinyl)-4H-1-benzopyran-4-one	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU7441 (KU-57788)	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	KU57788	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	XF6ZJD5WGU	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-one	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU-7432	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	KU 57788	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	CHEMBL188678	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	4H-1-Benzopyran-4-one, 8-(4-dibenzothienyl)-2-(4-morpholinyl)-	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-(Dibenzo[b,D]thiophen-4-Yl)-2-(Morpholin-4-Yl)-4h-Chromen-4-One	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	2R4	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU7441(KU-57788)	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	UNII-XF6ZJD5WGU	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	MLS006011188	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	SCHEMBL600096	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	GTPL8010	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	CHEBI:91361	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	DTXSID60462509	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	4o72	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	HMS3265K11	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	HMS3265K12	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	HMS3265L11	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	HMS3265L12	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	HMS3656N07	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	HMS3748A17	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	AMY42355	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	BCP01954	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	EX-A1331	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	ZINC3938693	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	BDBM50156495	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	s2638	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	AKOS024457766	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	BCP9000823	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	CCG-268806	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	CP-0073	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	SB19243	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NCGC00250377-01	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU7441,KU-57788	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	AC-32075	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	HY-11006	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	KU 47788	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	SMR004702957	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	DB-071172	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	FT-0673167	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	SW219708-1	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU-7441 (KU-57788)	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	NU-7441 - KU-57788	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	J-519349	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	BRD-K00337317-001-01-7	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	Q27088099	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-dibenzothiophen-1-yl-2-morpholin-4-yl-chromen-4-one	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-dibenzothiophene-4-yl-2-morpholin-4-yl-chromen-4-on	PC_11327430
C25H19NO3S	413.5	O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	8-(Dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one	PC_11327430
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	PLX-4720	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	918505-84-7	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	PLX4720	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	PLX 4720	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	EQY31RO8HA	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	CHEBI:90295	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]propane-1-sulfonamide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	1-Propanesulfonamide, N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	Raf Kinase Inhibitor V	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	UNII-EQY31RO8HA	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	1-PROPANESULFONAMIDE, N-(3-((5-CHLORO-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)CARBONYL)-2,4-DIFLUOROPHENYL)-	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	a,a-dimethoxytoluene	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	3c4c	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	MLS006010065	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	SCHEMBL133733	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	GTPL5703	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	CHEMBL1230020	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	BDBM25617	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	AMY2871	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	DTXSID10238711	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	EX-A186	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3244C03	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3244C04	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3244D03	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3265I09	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3265I10	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3265J09	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3265J10	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3654M10	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3750K11	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HMS3884C05	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	ACT06829	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	BCP01754	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	PLX-4720,PLX4720	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	BBL102256	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	MFCD14635203	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	NSC757438	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	s1152	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	STL556055	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	ZINC39059267	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	AKOS015919071	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	CCG-268810	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	CS-0094	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	DB06999	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	NSC-757438	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	NCGC00187911-01	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	NCGC00187911-02	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	NCGC00187911-06	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	AC-23171	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	AS-19376	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	HY-51424	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	SMR004701225	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	DB-003736	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	FT-0673969	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	SW218119-2	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	A19411	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	Raf Kinase Inhibitor V - CAS 918505-84-7	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	505P847	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	J-522979	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	BRD-K16478699-001-01-9	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	Q27088418	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]pr opane-1-sulfonamide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	propane-1-sulfonic acid [3-(5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-amide	PC_24180719
C17H14ClF2N3O3S	413.8	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	Propane-1-sulfonic acid[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-amide	PC_24180719
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	cyclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	50-18-0	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamid	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphane	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cytoxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cytophosphan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Procytox	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Clafen	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Endoxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclostin	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Neosar	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Sendoxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamidum	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cytophosphane	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Claphene	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Endoxana	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Endoxanal	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Genoxal	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Endoxan-Asta	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Endoxan R	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Zyklophosphamid	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Mitoxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(RS)-Cyclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphoramide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyklofosfamid	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Endoxane	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Enduxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Semdoxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Senduxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(+-)-Cyclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide anhydrous	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphanum	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Rcra waste number U058	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Asta B 518	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC 26271	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC-26271	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	B 518	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CB 4564	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCI-C04900	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SK 20501	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclofosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CHEBI:4027	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(-)-Cyclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide (INN)	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC26271	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Anhydrous cyclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cytoxan (TN)	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	50-18-0 (anhydrous)	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Ciclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-(Bis(2-chloroethyl)amino)-2H-1,3,2-oxazaphosphorine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	ASTA	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	6UXW23996M	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(2-chloroethyl)-N',O-propylenephosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Di(2-chloroethyl)-N,O-propylene-phosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-,2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, intramol. ester	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Lyophilized Cytoxan	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CY	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Ciclofosfamida	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	D,L-Cyclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyklofosfamid [Czech]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Ciclophosphamide [INN]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Zyklophosphamid [German]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CYCLOPHOSPHAMIDE [INN]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide (anhydrous)	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	ASTA B518	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Ciclofosfamida [INN-Spanish]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamidum [INN-Latin]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Occupation, cyclophosphamide exposure	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CCRIS 188	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	4-Hydroxy-cyclophosphan-mamophosphatide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide (anhydrous form)	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide (TN)	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	HSDB 3047	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SR-01000075737	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-05	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	EINECS 200-015-4	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	RCRA waste no. U058	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	BRN 0011744	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide [USP:INN]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-(Bis(2-chloroethyl)amino)-2H-1,2-oxazaphosphorine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-[Bis(2-chloroethyl)amino]-2H-1,2-oxazaphosphorine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	UNII-6UXW23996M	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridin	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AI3-26198	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,5,6-oxazaphosphorine-1,3,2-oxide-2 hydrate	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	[Bis(chloro-2-ethyl)amino]-2-tetrahydro-3,5,6-oxazaphosphorine-1,3,2-oxide-2 hydrate	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	173547-45-0	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CB-4564	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide-[d4]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Spectrum_000858	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CHEMBL88	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Spectrum2_001146	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Spectrum3_000370	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Spectrum4_000304	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Spectrum5_000795	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Lopac-C-0768	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(beta-chloroethyl)-N',O-propylenephosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(beta-chloroethyl)-N',O-trimethylenephosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Epitope ID:131782	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazophosphorine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	C 0768	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis-(beta-chloraethyl)-N',O-propylen-phosphorsaeure-ester-diamid [German]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SCHEMBL4346	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(.+/-.)-Cyclophosphamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Lopac0_000238	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	BSPBio_002099	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	KBioGR_000888	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	KBioSS_001338	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	DivK1c_000246	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SPBio_001071	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CYCLOPHOSPHAMIDE [HSDB]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	GTPL7154	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SCHEMBL4345553	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	DTXSID5020364	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SCHEMBL10262910	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CMSMOCZEIVJLDB-UHFFFAOYSA-	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	KBio1_000246	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	KBio2_001338	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	KBio2_003906	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	KBio2_006474	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	KBio3_001319	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CYCLOPHOSPAMIDE MONOHYDRATE	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CYCLOPHOSPHAMIDE [WHO-DD]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	WLN: T6MPOTJ BO BN2G2G	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CYCLOPHOSPHAMIDE, ANHYDROUS	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NINDS_000246	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-(bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CYCLOPHOSPHAMIDE LYOPHILIZED	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	HMS2090A12	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	HMS3260P17	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	HMS3715J05	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Pharmakon1600-01500213	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AMY33449	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	BCP02139	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Tox21_500238	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-CHLORO-5-METHYLBENZANILIDE	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	BDBM50237604	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis-(beta-chloraethyl)-N',O-propylen-phosphorsaeure-ester-diamid	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC273033	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC273034	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC756711	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	STK177249	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,3,2-Oxazaphosphorine, 2-(bis(2-chloroethyl)amino)tetrahydro-, 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AKOS005410738	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CS-1425	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	CYCLOPHOSPHAMIDE ANHYDROUS [MI]	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	DB00531	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	LP00238	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC-273033	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NSC-273034	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SDCCGSBI-0050226.P004	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	IDI1_000246	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,3,2-oxazaphosphorin-2-amine-2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,O-propylen-phosphorsaeure-ester-diamid	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-01	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-02	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-03	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-04	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-06	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-07	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-08	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-09	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-12	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00015209-28	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00091741-02	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00091741-03	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCGC00260923-01	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AS-73255	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	BP-25411	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	HY-17420	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	NCI60_002097	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,O-propylenephosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SBI-0050226.P003	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	DB-082057	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,O-propylene-phosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	EU-0100238	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	FT-0624276	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	FT-0665387	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,O-trimethylenephosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	EN300-74526	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	C07888	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	D07760	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AB00053446-09	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AB00053446-11	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AB00053446-12	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AB00053446_13	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AB00053446_14	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	AB00053446_15	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	005C978	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Q408524	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	W-60377	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,O-propylenephosphoric acid ester amide monohydrate	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SR-01000075737-1	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	SR-01000075737-6	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	W-105248	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	BRD-A09722536-002-02-4	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Z276509078	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-(bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-[bis(2-chloroethyl)amino]-1,3,2??-oxazaphosphinan-2-one	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-[bis(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-[bis(2-chloroethyl)amino]-1,3,2lambda5-oxazaphosphinan-2-one	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide #	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-(Di(2-chloroethyl)amino)-2-phospha(V)-tetrahydro-2H-1,3-oxazine-2-one	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2-[Bis(2-chloroethyl)amino]tetrahydro-1,3,2-oxazaphosphorin-2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,3,2-Oxazaphosphorine, 2-(bis(2-chloroethyl)amino)tetrahydro-,2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(.beta.-chloroethyl)-N',O-trimethylenephosphoric acid ester diamide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-Bis-(.beta.-chloraethyl)-N',O-propylen-phosphorsaeure-ester-diamid	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(+/-)-2-(BIS(2-CHLOROETHYL)AMINO)TETRAHYDRO-2H-1,3,2-OXAZAPHOSPHORINE 2-OXIDE	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(+/-)-2-[Bis(2-chloroethyl)amino]tetrahydro-2 H-1,3,2-oxazaphosphorine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(R)-2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	(S)-2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (+)-	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (-)-	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2H-1,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine	PC_2907
C7H15Cl2N2O2P	261.08	O=P1(N(CCCl)CCCl)NCCCO1	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, intramol. ester	PC_2907
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	GSK429286A	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	864082-47-3	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	RHO-15	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	GSK 429286	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-(4-(trifluoromethyl)phenyl)-1,4,5,6-tetrahydropyridine-3-carboxamide	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	C21H16F4N4O2	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	N-(6-Fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-(4-(trifluoromethyl)-phenyl)-1,4,5,6-tetrahydropyridine-3-carboxamide	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxamide	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	dihydropyridone indazole	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	CHEMBL375312	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	GTPL9356	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	SCHEMBL2801740	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	BDBM14055	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	CHEBI:91332	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	dihydropyridone indazole amide 15	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	DTXSID70463946	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	BCPP000217	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3244C07	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3244C08	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3244D07	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3265C03	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3265C04	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3265D03	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3265D04	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3654N12	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HMS3750C21	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	AMY39943	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	BCP01975	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	EX-A1119	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	GSK-429286A	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	GSK 429286 A	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	MFCD16618404	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	s1474	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	AKOS024457773	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	BCP9000743	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	CCG-269030	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	CS-0095	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	GSK-429286	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	compound 15 [PMID: 17201405]	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	NCGC00346096-02	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	NCGC00346096-10	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	4-[4-(TRIFLUOROMETHYL)PHENYL]-N-(6-FLUORO-1H-INDAZOL-5-YL)-2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXAMIDE	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	AC-32842	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	AS-16226	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	HY-11000	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	FT-0735355	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	GSK 429286A;GSK-429286A	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	SW219547-1	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	J3.573.349C	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	F15260	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	J-523140	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	BRD-A10523515-001-01-2	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	Q27163215	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	4-[4-(Trifluoromethyl)phenyl]-N-(6- Fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-1,4,5,6-tet rahydro-3-pyridinecarboxamide	PC_11373846
C21H16F4N4O2	432.4	CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F	OLIIUAHHAZEXEX-UHFFFAOYSA-N	N-(6-Fluoro-1h-ndazol-5-yl)-2-methyl-6-Oxo-4-(4-(trfluoromethyl)phenyl)-1,4,5,6-tetrahydropyrdne-3-carboxamde	PC_11373846
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	Nutlin-3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	548472-68-0	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	890090-75-2	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	nutlin 3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	(Rac)-Nutlin-3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	(+/-)-Nutlin3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	4-[[4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-piperazinone	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	CHEMBL211045	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	(+)-Nutlin-3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	(?)-Nutlin-3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	MFCD14636430	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	Nutlin 3(Random Configuration)	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	Nutlin3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	NSC-732664	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	Rac-Nutlin-3	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	Nutln 3A	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	MFCD07784509	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	4-({4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	the p53/MDM2 Agonist	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	SCHEMBL2458627	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	BDBM31197	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	CHEBI:93777	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	EX-A851	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	HMS3651G03	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	HMS3653F08	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	HMS3653J08	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	HMS3750A11	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	4-[(4R,5S)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	ACT06823	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	AMY39899	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	BCP02265	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	BCP05161	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	BCP29278	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	MFCD11977784	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	NSC732664	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	s1061	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	AKOS005146527	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	CCG-264800	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	SB19406	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	SB19407	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	NCGC00165848-01	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	NCGC00165848-02	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	2-Piperazinone,4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-,rel-	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	AC-35939	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	AS-10121	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	DA-41729	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	SY283510	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	SY289992	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	DB-003450	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	DB-015048	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	FT-0700329	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	FT-0713388	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	FT-0771774	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	FT-0773561	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	SW220144-1	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	J3.600.964K	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	H10266	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	472N680	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	A861337	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	J-514247	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	J-523776	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	BRD-A12230535-001-01-8	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	Q27165473	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	Z2159890360	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	(+-)-4-[4,5-dihydro-imidazole-1-carbonyl]piperazin-2-one	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	(-)-4-(4,5-bis-(4-Chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl)piperazine-2-one	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	(??)-4-[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	2-Piperazinone, 4-[[4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1 H -imidazol-1-yl]carbonyl]-	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	4-{[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinone	PC_216345
C30H30Cl2N4O4	581.5	COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	RG7112;R7112;rel-4-((4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one	PC_216345
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	teniposide	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	29767-20-2	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Vumon	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Vehem	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	VM-26	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	NSC 122819	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	VM26	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	NSC-122819	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposidum	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposido	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposide (Vumon)	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposidum [INN-Latin]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposido [INN-Spanish]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	VM 26	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-2-thenylidene-beta-D-glucopyranoside)	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	957E6438QA	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	HSDB 6546	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	5-[[(6R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Vee M-26	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	4'-Demethylepipodophyllotoxin 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside)	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposide [USAN]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	NSC122819	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	CCRIS 2058	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	EINECS 249-831-2	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	4'-Dimethyl-9-(4,6-O-2-thenyid)-epipodophyllotoxin	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Epidophyllotoxin	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposide [USAN:INN:BAN]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	4'-Demethylepipodophyllotoxin-beta-D-thenylidine glucoside	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	MFCD00866516	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	4'-Demethyl-epipodophyllotoxin-beta-D-thenylidene-glucoside	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	UNII-957E6438QA	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Teniposide- Bio-X	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside)	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Epipodophyllotoxin-beta-D-thenylidene-glucoside, 4'-demethyl-	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [MI]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [INN]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [HSDB]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [IARC]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [VANDF]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	SCHEMBL3908	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [MART.]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	4'-Demethyl 1-O-(4,6-O,O-(2-thenylidene)-beta-D-glucopyranosyl)epipodophyllotoxin	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [USP-RS]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [WHO-DD]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	(5R-(5alpha,5abeta,8aalpha,9beta(R*)))-5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-6-O-(2-thienylmethylene)-beta-D-glucopyranosyl)oxy)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	CHEMBL452231	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	GTPL6843	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	DTXSID8023638	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [ORANGE BOOK]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	4'-DEMETHYLEPIPODOPHYLLOTOXIN 9-(4,6-O-(R)-2-THENYLIDENE-.BETA.-D-GLUCOPYRANOSIDE)	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	TENIPOSIDE [USP MONOGRAPH]	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	ZINC4099009	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	BDBM50248198	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	NSC758255	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	s1787	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	AKOS015896073	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	CCG-270335	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	CS-1366	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	DB00444	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	KS-5147	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	NSC-758255	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	BT164452	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-((R)-2-thienylmethylene)-beta-D-glucopyranosyl)oxy)-, (5R,5aR,8aR,9S)-	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-(2-thienylmethylene)-beta-D-glucopyranosyl)-oxy)-, (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	HY-13761	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	AB01274729-01	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	AB01274729_02	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	EN300-7481406	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	767T202	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Q417555	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(thiophen-2-yl)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	(5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-Dihydroxy-2-(thiophen-2-yl)hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-9-((4,6-O-(2-THIENYLMETHYLENE)-.BETA.-D-GLUCOPYRANOSYL)-OXY)-, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.(R*)))	PC_452548
C32H32O13S	656.7	COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-[(R)-2-thienylmethylene]-.beta.-D-glucopyranosyl]oxy]-, (5R,5aR,8aR,9S)-	PC_452548
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	1144068-46-1	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE-125132	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE125132	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE-132	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE 125132	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	CHEMBL601661	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE-125132 (WYE-132)	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-methylurea	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	1-[4-(1-{1,4-dioxaspiro[4.5]decan-8-yl}-4-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-3-methylurea	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]-oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE132	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	SCHEMBL54355	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	MLS006011010	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	CHEBI:91364	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	DTXSID70649521	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	HMS3265K19	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	HMS3265K20	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	HMS3265L19	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	HMS3265L20	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	HMS3656J09	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	BCP02227	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	EX-A2183	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	BDBM50306633	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	s2661	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	AKOS025405223	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	CCG-269851	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	CS-0066	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	SB19261	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	NCGC00346635-01	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	NCGC00346635-10	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	AC-31521	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	HY-10044	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	SMR004702808	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	Urea, N-[4-[1-(1,4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE-132; WYE-125132	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	SW219487-1	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	WYE-125132  - WYE-132	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	A25638	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	J-003090	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	J-523341	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	BRD-A45498368-001-02-2	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	Q27163233	PC_25260757
C27H33N7O4	519.6	CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	QLHHRYZMBGPBJG-UHFFFAOYSA-N	1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-methylurea	PC_25260757
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	mitomycin C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	50-07-7	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Ametycine	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mutamycin	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin-C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitocin-C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mytozytrex	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Ametycin	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycinum	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mytomycin	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitozytrex	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitamycin	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitosol	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MMC	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NSC-26980	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Muamycin	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	7-Amino-9alpha-methoxymitosane	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	C15H18N4O5	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NSC 26980	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycyna C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NCI-C04706	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mito-C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NSC26980	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mit-C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycinum C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitocin C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	CHEBI:27504	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	RCRA waste number U010	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	UGN-101	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	UGN-102	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	50SG953SK6	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycyna C [Polish]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	[(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-8-yl]methyl carbamate	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione carbamate (ester)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	DSSTox_CID_898	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	DSSTox_RID_75853	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	DSSTox_GSID_20898	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin (TN)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	[(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	CAS-50-07-7	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Muamycin (TN)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	((1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	CCRIS 414	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	HSDB 3239	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin (USP/INN)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MLS002702984	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	(amino-methoxy-methyl-dioxo-[?]yl)methyl carbamate	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	EINECS 200-008-6	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	RCRA waste no. U010	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	7-Amino-9.alpha.-methoxymitosane	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitonco	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitoplus	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MitoExtra	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	UNII-50SG953SK6	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AI3-26199	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin [USAN:USP:INN:BAN]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NCGC00095258-01	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	[(1aS,8S,8aR,8bS)-6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2'',3'':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	[(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Jelmyto (TN)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MFCD00078109	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	JELMYTO	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C- Bio-X	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C from Streptomyces caespitosus	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [INN]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C (JP17)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [HSDB]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [USAN]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [VANDF]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN C [MI]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	CHEMBL105	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [MART.]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN C [JAN]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [USP-RS]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [WHO-DD]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN C [IARC]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	SCHEMBL3760	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	CBiol_001927	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BSPBio_001267	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KBioGR_000607	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KBioSS_000607	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C (4% in NaCl)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MLS001332654	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitozytrex (TN) (Supergene)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	50-07-7 (non-salt)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AMETYCIN pound notmitomycin C	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	GTPL7089	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [ORANGE BOOK]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	DTXSID2020898	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [EP MONOGRAPH]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KBio2_000607	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KBio2_003175	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KBio2_005743	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KBio3_001073	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KBio3_001074	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	EX-A501	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	MITOMYCIN [USP MONOGRAPH]	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BCPP000410	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Bio1_000213	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Bio1_000702	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Bio1_001191	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Bio2_000464	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Bio2_000944	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	HMS1362O09	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	HMS1792O09	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	HMS1990O09	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	HMS2089F16	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	HMS3403O09	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AMY10316	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, 6-AMINO-8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-, (1AS-(1A.ALPHA.,8.BETA.,8A.ALPHA.,8B.ALPHA.))-	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Tox21_111493	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AC-918	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BDBM50428658	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	GR-311	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	s8146	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	ZINC30726187	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AKOS015895703	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Tox21_111493_1	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BCP9000285	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	CCG-208564	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	CS-0564	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	DB00305	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	KS-5148	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	IDI1_002219	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	SMP1_000307	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin 100 microg/mL in Acetonitrile	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NCGC00163468-02	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NCGC00163468-03	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NCGC00163468-05	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	NCGC00163468-06	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	1404-00-8	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BM164668	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	HY-13316	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	SMR000058401	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BCP0726000181	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	M2320	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	C06681	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	D00208	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	D91590	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AB00918689-03	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	AB00918689-04	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	EN300-7405455	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	078M109	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C, Antibiotic for Culture Media Use Only	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Q-201410	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BRD-K59670716-001-02-6	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	BRD-K59670716-001-06-7	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Q19856779	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	WLN: T D3 B556 BN EM JV MVTTT&J GO1 H1OVZ KZ L1	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C from Streptomyces caespitosus, >=970 mug/mg (USP XXIV)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C from Streptomyces caespitosus, powder, BioReagent, suitable for cell culture	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C from Streptomyces caespitosus, powder, contains NaCl as solubilizer	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	[1aS-(1a?,8?,8a?,8b?)]-6-Amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-5-methyl-, carbamate (ester)	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-	PC_5746
C15H18N4O5	334.33	COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	Mitomycin C from Streptomyces caespitosus, >=98% (HPLC), potency: >=970 mug per mg (USP XXIV), gamma-irradiated, suitable for cell culture	PC_5746
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	129453-61-8	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Faslodex	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ICI 182,780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Ici 182780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ICI-182780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ZM 182780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ZD-9238	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ZM-182780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ZD9238	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant (Faslodex)	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ZD 9238	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	CHEMBL1358	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	CHEBI:31638	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	22X328QOC4	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NSC-759879	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7alpha,17beta)-	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant [USAN]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	DSSTox_CID_2369	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	DSSTox_RID_76561	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	DSSTox_GSID_22369	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ZD 182780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Faslodex (TN)	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	7alpha-[9[(4,4,5,5,5-Pentafluropentyl)sulfinyl]nonyl]-estra-1,3,5(10)-triene-3, 17 beta diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	CAS-129453-61-8	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ICI182780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	fulvestrantum	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fluvestrant	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	UNII-22X328QOC4	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	CCRIS 8741	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Faslodex(ICI 182,780)	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	HSDB 7658	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NCGC00024964-02	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant [USAN:USP:INN:BAN]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	MFCD00903953	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ZD-182780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [MI]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [INN]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [JAN]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [VANDF]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	SCHEMBL8209	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [MART.]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	BIDD:PXR0136	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [USP-RS]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [WHO-DD]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	MLS006010187	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	BIDD:ER0348	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant (JAN/USP/INN)	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [EMA EPAR]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant, >98% (HPLC)	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	GTPL1015	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	DTXSID4022369	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	EX-A959	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [ORANGE BOOK]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ICI 182780- Bio-X	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [EP MONOGRAPH]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [USP IMPURITY]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	HMS2090N22	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	HMS3260G10	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	HMS3712A06	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	FULVESTRANT [USP MONOGRAPH]	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Tox21_110939	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Tox21_202604	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Tox21_303656	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Tox21_500114	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	BDBM50169743	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NSC719276	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	AKOS015895669	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Tox21_110939_1	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	AC-4693	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	BCP9000707	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	CCG-220082	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	CCG-221418	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	CS-1267	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	DB00947	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	LP00114	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NSC 759879	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NSC-719276	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	SDCCGSBI-0633685.P001	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ICI 182 780	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ICI 182,789	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NCGC00164789-02	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NCGC00164789-04	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NCGC00257357-01	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NCGC00260152-01	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NCGC00260799-01	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	NCGC00386134-10	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,8S,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl) nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	AS-13024	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	BI167222	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	HY-13636	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	SMR001456109	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	BCP0726000227	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	F1144	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	S1191	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant, Vetec(TM) reagent grade, >98%	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	D01161	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	EN300-120628	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	AB01273957-01	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	AB01273957-02	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	AB01273957-03	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	AB01273957_04	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	453F618	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	J-005680	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Q5508491	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	BRD-A85667082-001-12-7	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant, European Pharmacopoeia (EP) Reference Standard	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant, United States Pharmacopeia (USP) Reference Standard	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant for system suitability, European Pharmacopoeia (EP) Reference Standard	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(1S,3aS,3bR,4R,9bS,11aS)-11a-methyl-4-[9-(4,4,5,5,5-pentafluoropentanesulfinyl)nonyl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7?,17?)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentyldihydrosulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,8R,9S,13S,14S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	(7R,9S,13S,14S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	13-Methyl-7-[9-(4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	7.ALPHA.-(9-(4,4,5,5,5-PENTAFLUOROPENTYLSULPHINYL)NONYL)ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	7alpha-[9-(4,4,5,5,5-pentafluoro-pentylsulfinyl)nonyl]estra-1,3,5(10)-triene-3,17beta-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	7alpha-[9-[(RS)-(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17beta-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-, (7.ALPHA.,17.BETA.)-	PC_104741
C32H47F5O3S	606.8	CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N	Estra-1,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7.alpha.,17.beta.)-	PC_104741
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	picolinic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	98-98-6	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-Picolinic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Pyridine-2-carboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-Pyridinecarboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-Carboxypyridine	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	o-Pyridinecarboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	alpha-Picolinic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	alpha-Pyridinecarboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	PYRIDINECARBOXYLIC ACID	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Acide picolique	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Pyridine-carboxylique-2	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-pyridine carboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	MFCD00006293	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NSC 171	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	AI3-19242	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	PCL 016	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Pyridinecarboxylic acid-(2)	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	QZV2W997JQ	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	CHEMBL72628	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	.alpha.-Pyridinecarboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	CHEBI:28747	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NSC 21209	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NSC-171	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NCGC00165993-01	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Nicogamol	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Nikogamol	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-pyridinecarboxylate	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	DSSTox_CID_11903	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	DSSTox_RID_78896	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	DSSTox_GSID_31903	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Acide picolique [French]	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	CAS-98-98-6	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	SMR000814709	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NSC21209	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Pyridine-carboxylique-2 [French]	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	EINECS 202-719-7	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	32075-31-3	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	UNII-QZV2W997JQ	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	BRN 0109595	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	picolinicacid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	picolinic-acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	picolic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	CCRIS 8307	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-picolic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	A-Picolinic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	6PC	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	pyridine carboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	pyridine-carboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-pyridincarboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	pyridinium 2-carboxylate	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	a-Pyridinecarboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-pyridine carboxic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Pyridine-A-carboxylic acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-pyridine-carboxylic Acid	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	PICOLINIC ACID [MI]	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Oprea1_485360	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	SCHEMBL36055	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	5-22-02-00003 (Beilstein Handbook Reference)	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	MLS001335931	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	MLS001335932	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Picolinic acid (PCL 016)	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Phenyl-(2-pyridyl)acetonitrile	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NSC171	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	DTXSID7031903	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	SIOXPEMLGUPBBT-UHFFFAOYSA-	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	ZINC39905	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	HMS2232K05	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	BCP26613	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	CS-D1196	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	HY-I0660	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	STR00111	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Tox21_112282	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Tox21_202953	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	BDBM50000407	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	s6249	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	STL164340	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	AKOS000119032	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Tox21_112282_1	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	AB00685	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	AC-2105	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	AM81303	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	PS-4253	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NCGC00165993-02	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NCGC00260499-01	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-Picolinic acid, ReagentPlus(R), 99%	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	88161-53-9	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	BP-13036	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	BP-21456	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	NCI60_001382	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	SY001169	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	DB-014967	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	FT-0608336	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	P0421	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	EN300-18459	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	2-Picolinic acid, Vetec(TM) reagent grade, 98%	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Q416682	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	C9DF3EBC-98F0-4165-BE9A-92F8EE33CDBA	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	W-100058	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	Z57968195	PC_1018
C6H5NO2	123.11	O=C(O)c1ccccn1	C1=CC=NC(=C1)C(=O)O	SIOXPEMLGUPBBT-UHFFFAOYSA-N	F2191-0113	PC_1018
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	849217-64-7	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK1363089	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	XL880	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	EXEL-2880	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib (GSK1363089)	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK089	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	XL-880	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK 1363089	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	XL 880	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	EXEL 2880	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK-1363089	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK-089	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK1363089G	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	81FH7VK1C4	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK-1363089G	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	937176-80-2	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	88Z	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	n-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-(3-Fluoro-4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinolin-4-Yl]oxy}phenyl)-N'-(4-Fluorophenyl)cyclopropane-1,1-Dicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-(3-Fluoro-4-((6-methoxy-7-(3-(morpholin-4-yl)propoxy)quinolin-4-yl)oxy)phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl]oxy)phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib(XL880)	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	xl-880, Foretinib	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	FORETINIB [INN]	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib (USAN/INN)	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib [USAN:INN]	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	FORETINIB [USAN]	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	FORETINIB [WHO-DD]	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	UNII-81FH7VK1C4	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	MLS006010302	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	SCHEMBL371804	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib - GSK1363089	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GTPL5679	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	CHEMBL1230609	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	CHEBI:91418	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	DTXSID20918193	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	EX-A050	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	BCPP000236	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	HMS3295K13	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	HMS3654G04	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	BCP02231	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	BDBM50399540	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK 1363089G	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	MFCD16038048	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	NSC755775	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	NSC800101	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	s1111	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	ZINC43204048	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib,XL880, GSK1363089	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	AKOS015904319	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	BCP9000675	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	CCG-270292	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	CS-0153	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	DB12307	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	NSC-755775	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	NSC-800101	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	PB27007	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	SB20469	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Foretinib (GSK1363089, XL880)	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	NCGC00263104-01	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	NCGC00263104-10	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	AC-25081	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	AS-16268	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	HY-10338	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	SMR003599144	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	SW219390-1	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	EC-000.2326	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	A25642	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	D09618	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	XL880, GSK1363089G, Exel 2880	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	J-523004	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	Q5469311	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	BRD-K03449891-001-01-1	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	1,1-CYCLOPROPANEDICARBOXAMIDE, N-(3-FLUORO-4-((6-METHOXY-7-(3-(4- MORPHOLINYL)PROPOXY)-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	1,1-Cyclopropanedicarboxamide, N-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-N'-(4-fluorophenyl)-	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	1-N'-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	GSK1363089;EXEL-2880;Foretinib;N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide;Foretinib	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-(3-FLUORO-4-((6-METHOXY-7-(3-(MORPHOLIN-4-YL)PROPOXY)QUINOLIN-4-YL)OXY) PHENYL)-N'-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-(4-(7-(3-MORPHOLINOPROPOXY)-6-METHOXYQUINOLIN-4-YLOXY)-3-FLUOROPHENYL)-N-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE	PC_42642645
C34H34F2N4O6	632.7	COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin 4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_42642645
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epiadriamycin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epidoxorubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	4'-Epiadriamycin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	56420-45-2	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicine	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Ellence	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	4'-epidoxorubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicinum	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Pidorubicina	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Pidorubicine	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Pidorubicinum	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicina	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Farmorubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	4-Epidoxorubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicin free base	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicin (INN)	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Pidorubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	NSC-256942	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Ridorubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	NSC 256942	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	CHEBI:47898	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epi-DX	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicine [French]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicinum [Latin]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	3Z8479ZZ5X	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicina [Spanish]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	IMI 28	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicine [INN-French]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicinum [INN-Latin]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicina [INN-Spanish]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Pidorubicine [INN-French]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Pidorubicinum [INN-Latin]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	56420-45-2 (FREE BASE)	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Pidorubicina [INN-Spanish]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	EPIRUBICIN [INN]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epirubicin [INN:BAN]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	WP 697	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(8S,10S)-10-(((2R,4S,5R,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Farmorubicin (TN)	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	CCRIS 2261	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	HSDB 6962	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	NSC256942	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	BRN 1445813	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Epi-doxorubicin	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	UNII-3Z8479ZZ5X	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	DM6	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Acid, 8	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	EPIRUBICIN [MI]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	EPIRUBICIN [HSDB]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	EPIRUBICIN [VANDF]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	CHEMBL417	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	SCHEMBL8582	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	EPIRUBICIN [WHO-DD]	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	DTXSID0022987	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	EPIRUBICIN(Hydrochloride form)	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	BDBM43839	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Doxorubicin-13CD3 (discontinued)	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	DM2	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	ZINC3938704	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	DB00445	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	NCGC00263918-04	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	NCGC00263918-08	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(7S,9R)-7-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	HY-13624	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	SBI-0206890.P001	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	D07901	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	AB00698552-11	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	AB00698552-13	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	AB00698552-14	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	AB00698552_15	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	AB00698552_16	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	EN300-7410311	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	A831042	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	Q425122	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	BRD-K04548931-003-16-5	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(1S,3S)-3-GLYCOLOYL-1,2,3,4,6,11-HEXAHYDRO-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1-NAPHTHACENYL 3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-ARABINO-HEXOPYRANOSIDE	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(7S,9S)-7-[(2R,4S,5R,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	(7S,9S)-7-[[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S-CIS)-	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-	PC_41867
C27H29NO11	543.5	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N	5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-	PC_41867
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	BIBR 1532	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	321674-73-1	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	BIBR1532	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	(E)-2-(3-(naphthalen-2-yl)but-2-enamido)benzoic acid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	BIBR-1532	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	CHEMBL27323	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-{[(2e)-3-(Naphthalen-2-Yl)but-2-Enoyl]amino}benzoic Acid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2197129-84-1	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic Acid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic acid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	MLS006011127	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	SCHEMBL16964998	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	CHEBI:94985	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	DTXSID70432975	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	EX-A381	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	GLXC-25625	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	IBR 1532	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	WMA67473	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	Telomerase Inhibitor X, BIBR1532	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	BDBM50126186	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	MFCD11112195	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	s1186	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	ZINC13488964	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	AKOS024457366	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	CCG-264852	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	CS-0902	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	NCGC00242492-01	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	NCGC00242492-09	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	AC-26865	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	AS-56088	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	HY-17353	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	SMR004702907	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	SW219803-1	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	EC-000.2388	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-(3-(Naphthalen-2-yl)but-2-enamido)benzoicacid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-(3-(Naphthalen-2-yl)but-2-enamido)benzoic acid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	BRD-K04623885-001-01-8	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	Q27455481	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-[(e)-3-naphthalen-2-yl-but-2-enoylamino]-benzoic acid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-[[(2E)-3-(2-Naphthalenyl)-1-oxo-2-butenyl1-yl]amino]benzoic acid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	2-[[(2E)-3-(2-Naphthalenyl)-1-oxo-2-butenyl1-yl]amino]benzoicacid	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	55C	PC_9927531
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	BIBR-1532	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic Acid	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	CHEMBL3186312	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	HMS3654G18	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	BCP01934	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	AKOS026750457	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	SB19493	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	NCGC00242492-02	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	DB-068596	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	FT-0700289	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	Q27166746	PC_53440640
C21H17NO3	331.4	CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-UHFFFAOYSA-N	2-[[3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid	PC_53440640
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VE-822	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	1232416-25-9	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	Berzosertib	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VX-970	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VE822	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VX970	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VE 822	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	Berzosertib [USAN]	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VE-822 (VX-970)	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	L423PRV3V3	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	3-(3-{4-[(METHYLAMINO)METHYL]PHENYL}-1,2-OXAZOL-5-YL)-5-[4-(PROPANE-2-SULFONYL)PHENYL]PYRAZIN-2-AMINE	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	M6620	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	2-Pyrazinamine, 3-(3-(4-((methylamino)methyl)phenyl)-5-isoxazolyl)-5-(4-((1-methylethyl)sulfonyl)phenyl)-	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	M-6620	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	BDBM50226746	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	2-Pyrazinamine, 3-[3-[4-[(methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	3-(3-(4-((METHYLAMINO)METHYL)PHENYL)-1,2-OXAZOL-5-YL)-5-(4-(PROPANE-2-SULFONYL)PHENYL)PYRAZIN-2-AMINE	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine.	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	UNII-L423PRV3V3	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	3-(3-(4-((Methylamino)methyl)phenyl)-5-isoxazolyl)-5-(4-((1-methylethyl)sulfonyl)phenyl)-2-pyrazinamine	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VX-970;Berzosertib	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	BERZOSERTIB [INN]	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	Berzosertib (USAN/INN)	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	Berzosertib (VE-822)	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	AGN-PC-0CXKB3	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	BERZOSERTIB [WHO-DD]	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	GTPL8003	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	SCHEMBL3061890	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	CHEMBL3989870	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	EX-A529	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	CHEBI:131166	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	BDBM350085	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	DTXSID601025940	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	HMS3653C05	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	HMS3747I11	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	BCP07948	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	MFCD27976794	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	NSC777718	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	s7102	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	US10208027, Compound II-1	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	US10208027, Compound II-2	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	US10208027, Compound II-3	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	US10208027, Compound II-4	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	VX 970	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	ZINC96170459	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	AKOS025404905	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	CCG-264673	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	CS-1861	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	DB11794	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	NSC-777718	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	SB17265	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	NCGC00386313-07	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	AC-32951	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	AS-17041	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	DA-46989	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	HY-13902	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	FT-0700136	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	SW220202-1	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	A13289	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	D11148	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	A857986	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	Q27089129	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	5-(4-isopropylsulfonylphenyl)-3-[3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyrazin-2-amine	PC_59472121
C24H25N5O3S	463.6	CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	JZCWLJDSIRUGIN-UHFFFAOYSA-N	Synthesis of 3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine	PC_59472121
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	GSK1904529A	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	1089283-49-7	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	GSK-1904529A	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	CHEMBL466397	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	GSK 1904529A	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	MLS006010966	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	SCHEMBL309890	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	CHEBI:91401	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	DTXSID70648776	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	EX-A008	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	HMS3295G13	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	HMS3654G19	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	AMY24202	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	GSK 4529	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	IGF-1R inhibitor GS1904529A	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	BDBM50256480	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	MFCD17010271	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	NSC767951	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	s1093	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	AKOS030238962	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	ZINC150338709	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	CCG-264817	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	EX-8674	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	NSC-767951	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	SB19376	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	NCGC00253439-01	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	NCGC00253439-04	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	AC-28459	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	AS-17030	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	HY-10524	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-difluorophenyl)-5-(3-(2-((5-ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-2-methoxybenzamide	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-difluorophenyl)-5-(3-(2-(5-ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-2-methoxybenzamide	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	SMR004702770	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	FT-0733738	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	SW219610-1	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	EC-000.2336	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	GSK 1904529A (GSK 4529)	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	A24618	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	J-522846	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	BRD-K04833372-001-01-3	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	Q27163259	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	IGF-IR, IGF-IIR inhibitor;N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide;GSK 4529	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-Piperidinyl]phenyl]amino]-4-pyrimid inyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide	PC_25124816
C44H47F2N9O5S	852.0	CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	N-(2,6-Difluorophenyl)-5-{3-[2-(5-ethyl-4-{4-[4-(methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl}-2-methoxybenzamide	PC_25124816
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	212631-79-3	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CI-1040	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD184352	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD 184352	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD-184352	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD184352 (CI-1040)	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CI 1040	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CI1040	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD 184,352	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD-18435	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-((2-Chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	C.I. 1040	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CHEMBL105442	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	R3K9Y00J04	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	NCGC00189074-01	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CI-1040 (PD184352)	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-[(2-CHLORO-4-IODOPHENYL)AMINO]-N-(CYCLOPROPYLMETHOXY)-3,4-DIFLUOROBENZAMIDE	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	DSSTox_CID_28871	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	DSSTox_RID_83140	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	DSSTox_GSID_48945	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CAS-212631-79-3	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	Benzamide, 2-((2-chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluoro-	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	Benzamide, 2-[(2-chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluoro-	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	MFCD02683961	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD 184352(CI-1040)	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	MLS006010176	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	SCHEMBL570330	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	UNII-R3K9Y00J04	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD 184352, Free Base	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	GTPL5676	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	DTXSID8048945	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CHEBI:91353	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CI 1040 [WHO-DD]	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3244G05	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3244G06	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3244H05	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3265I07	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3265I08	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3265J07	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3265J08	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HMS3654I05	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	BCP01791	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	EX-A2202	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	ZINC1489691	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	Tox21_113363	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	BDBM50132260	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	NSC765695	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	s1020	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-(2-chloro-4-iodo-anilino)-N-(cyclopropylmethoxy)-3,4-difluoro-benzamide	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	AKOS022184333	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	Tox21_113363_1	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CCG-269529	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CS-0058	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	DB12429	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	NSC-765695	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	SB19417	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	NCGC00189074-03	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	NCGC00189074-05	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	AC-25483	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	AS-19373	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	HY-50295	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	SMR004701284	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CI-1040,PD184352	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD 184352CI-1040	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	DB-014962	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	CI-1040; PD184352	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	FT-0673543	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	P2174	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	SW219604-1	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	EC-000.2331	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD184352 - CI-1040	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	A25744	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	PD184352, >=98% (HPLC)	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	631C793	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	US8575391, 341	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	J-505572	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	BRD-K05104363-001-01-9	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	Q27076005	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-(2-Chloro4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide, CI-1040	PC_6918454
C17H14ClF2IN2O2	478.7	O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	2-[(2-Chloro-4-iodophenyl)amino]-N-cyclopropylmethoxy)-3,4-difluorobenzamide	PC_6918454
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	BAM7	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	331244-89-4	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	BAM 7	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	(E)-4-(2-(2-Ethoxyphenyl)hydrazono)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5(4H)-one	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	BAX Activator Molecule 7	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	BAM-7	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	CHEMBL3417395	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	(E)-4-(2-(2-ethoxyphenyl)hydrazono)-5-methyl-2-(4-phenylthiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	3-Methyl-1-(4-phenyl-2-thiazolyl)-1H-pyrazole-4,5-dione 4-[2-(2-Ethoxyphenyl)hydrazone]	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	(4E)-4-[(2-ethoxyphenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	CHEMBL3187660	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	SCHEMBL16266654	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	SCHEMBL16266655	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	DTXSID00420906	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	AMY18780	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	BCP07775	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	EX-A1937	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	ZINC6631357	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	BDBM50078015	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	NSC768536	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	s7105	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	AKOS000582957	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	AKOS001611624	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	AKOS026750495	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	ZINC100510737	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	ZINC299848298	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	CCG-268710	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	CS-1453	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	NSC-768536	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	SB19400	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	4-(2-(2-Ethoxyphenyl)hydrazono)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5(4H)-one	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	NCGC00347939-01	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	AC-32082	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	AS-55800	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	BP-25406	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	HY-15341	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	C74694	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	J-019031	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	1-(4-Phenylthiazole-2-yl)-3-methyl-4-[2-(2-ethoxyphenyl)hydrazono]-1H-pyrazole-5(4H)-one	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	(4E)-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-ethoxyphenyl)hydrazone]	PC_3101542
C21H19N5O2S	405.5	CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C	WRLVHADVOGFZOZ-UHFFFAOYSA-N	4-(2-(2-Ethoxyphenyl)hydrazono)-5-methyl-2-(4-phenylthiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one	PC_3101542
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	VX-702	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	745833-23-2	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	479543-46-9	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	VX 702	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	VX702	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ureido)nicotinamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	1-(5-carbamoyl-6-(2,4-difluorophenyl)pyridin-2-yl)-1-(2,6-difluorophenyl)urea	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	6-[(aminocarbonyl)(2,6-difluorophenyl)amino]-2-(2,4-difluorophenyl)-3-pyridinecarboxamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	CHEMBL1090090	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	527E7SK68P	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	745833-23-2 (or 479543-46-9)	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	6-(Carbamoyl(2,6-difluorophenyl)amino)-2-(2,4-difluorophenyl)nicotinamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	3-Pyridinecarboxamide, 6-((aminocarbonyl)(2,6-difluorophenyl)amino)-2-(2,4-difluorophenyl)-	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	6-((Aminocarbonyl)(2,6-difluorophenyl)amino)-2-(2,4-difluorophenyl)-3-pyridinecarboxamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	2-(2,4-Difluorophenyl)-6-(1-[2,6-difluorophenyl)ureido]nicotinamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	6-[Carbamoyl(2,6-difluorophenyl)amino]-2-(2,4-difluorophenyl)nicotinamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	I14-1965	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	Kinome_3176	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	VX-702, Free Base	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	EC-000.2363	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	MLS006011165	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	SCHEMBL185712	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	UNII-527E7SK68P	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	GTPL6059	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	CHEBI:94489	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	DTXSID50963974	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	EX-A013	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	KVK-702	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	BCPP000016	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	HMS3244H04	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	HMS3244H08	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	HMS3244H12	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	HMS3656J20	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	HMS3674G05	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	BCP01860	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	BCP28564	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	BDBM50314071	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	MFCD11616590	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	NSC775665	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	NSC800967	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	s6005	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	ZINC36377992	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	AKOS015902395	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	CCG-268686	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	CS-0074	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	DB05470	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	NSC-775665	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	NSC-800967	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	SB16636	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	VX-702 (VX702)	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	VX702;  VX-702	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	2-(2,4-difluorophenyl)-6-[1-(2,6-difluorophenyl)carbamoylamino]pyridine-3-carboxamide	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	NCGC00249684-01	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	NCGC00249684-14	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	2-(2,4-Difluorophenyl)-6-{(2,6-difluorophenyl)[hydroxy(imino)methyl]amino}pyridine-3-carboximidic acid	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	AC-35968	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	AS-16241	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	HY-10401	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	SMR004702934	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	FT-0652364	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	FT-0675854	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	FT-0696780	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	SW219722-1	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	V0147	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	A19416	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	543V469	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	A851500	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	J-505475	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	BRD-K07736136-001-01-2	PC_10341154
C19H12F4N4O2	404.3	NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	Q27089207	PC_10341154
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Omipalisib	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	1086062-66-9	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK2126458	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK-2126458	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK 2126458	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	2,4-difluoro-N-(2-methoxy-5-(4-(pyridazin-4-yl)quinolin-6-yl)pyridin-3-yl)benzenesulfonamide	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK-212	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	2,4-Difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	1X8F5A3NA0	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Omipalisib (GSK2126458, GSK458)	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	2,4-difluoro-N-(2-(methyloxy)-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)benzenesulfonamide	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Benzenesulfonamide, 2,4-difluoro-N-(2-methoxy-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)-	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzenesulfonamide	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Omipalisib [USAN:INN]	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	UNII-1X8F5A3NA0	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK458	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK 212	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	2,4-difluoro-N-{2-(methyloxy)-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl}benzenesulfonamide	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	OMIPALISIB [INN]	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Omipalisib (USAN/INN)	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	OMIPALISIB [USAN]	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	OMIPALISIB [WHO-DD]	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	MLS006011258	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Omipalisib; GSK2126458	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	SCHEMBL623194	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GTPL8974	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Omipalisib (GSK2126458)	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	CHEMBL1236962	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	CHEBI:95093	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	DTXSID10148604	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	EX-A003	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK-458	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	3l08	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	HMS3656D09	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	BCP02252	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	BDBM50145416	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	MFCD16038929	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	NSC764092	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	NSC800807	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	s2658	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	ZINC43208634	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	AKOS015904655	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	CCG-264973	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	CS-0085	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	DB12703	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	NSC-764092	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	NSC-800807	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	SB16572	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	NCGC00250408-01	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	NCGC00250408-05	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	AC-28458	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	AS-16266	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK2126458 (GSK458)	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	HY-10297	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	SMR004703011	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	FT-0669061	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	SW219502-1	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	A25172	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	D10718	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	GSK-2126458;GSK 2126458; Omipalisib	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	J-507217	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	Q27088179	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	N-[2-Methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide	PC_25167777
C25H17F2N5O3S	505.5	COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	ZIG	PC_25167777
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	1260907-17-2	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	molibresib	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	I-BET-762	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GSK 525762A	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GSK525762A	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GSK525762	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	I-BET 762	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GSK-525762	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	I-BET762	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GSK-525762A	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	Bet inhibitor GSK525762	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	(S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	5QIO6SRZ2R	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	CHEMBL1232461	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	Molibresib (USAN)	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	CS-0717	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	MOLIBRESIB [USAN]	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GSK-525762A (I-BET 762)	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)-	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	EAM	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	UNII-5QIO6SRZ2R	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	2yek	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	iBET	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	(4S)-6-(4-CHLOROPHENYL)-N-ETHYL-8-METHOXY-1-METHYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE-4-ACETAMIDE	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	(4S)-6-(4-Chlorophenyl)-N-ethyl-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetamide	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	(S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo-[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE-4-ACETAMIDE, 6-(4-CHLOROPHENYL)-N-ETHYL-8-METHOXY-1-METHYL-, (4S)-	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	3p5o	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	MOLIBRESIB [INN]	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	MOLIBRESIB [WHO-DD]	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	Molibresib (I-BET-762)	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GTPL7033	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	SCHEMBL1872390	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	CHEBI:95082	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	DTXSID60677590	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	EX-A462	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	BCP07337	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	BDBM50365463	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	MFCD22417091	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	NSC774829	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	s7189	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	ZINC58655571	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	AKOS025404837	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	CCG-208698	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	NSC-774829	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	NCGC00263621-02	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	NCGC00263621-04	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	NCGC00263621-06	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	AC-32712	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	AS-16364	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	BP-23442	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	HY-13032	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	GSK-525762A(I-BET-762)	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	I-BET762, >=98% (HPLC)	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	SW220225-1	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	D11326	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	EN300-20050078	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	J-005327	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	Q27078016	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	2-((4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	2-((4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4HBENZO(F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-4-YL)-N-ETHYLACETAMIDE	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	2-[(4S)-6-(4-Chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide	PC_46943432
C22H22ClN5O2	423.9	CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N	2-[(7S)-9-(4-chlorophenyl)-12-methoxy-3-methyl-2,4,5,8-tetraazatricyclo[8.4.0.0,2,6]tetradeca-1(10),3,5,8,11,13-hexaen-7-yl]-N-ethylacetamide	PC_46943432
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	LCL161	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	1005342-46-0	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	LCL-161	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	(s)-n-((s)-1-cyclohexyl-2-((s)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	Nvp-lcl 161	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	LCL 161	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	6TNS415Y3P	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	CHEMBL2431768	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	UNII-6TNS415Y3P	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	PROPANAMIDE, N-((1S)-1-CYCLOHEXYL-2-((2S)-2-(4-(4-FLUOROBENZOYL)-2-THIAZOLYL)-1-PYRROLIDINYL)-2-OXOETHYL)-2-(METHYLAMINO)-, (2S)-	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)-	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	NVP-LCL161	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	GTPL7912	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	SCHEMBL1275369	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	LCL 161 [WHO-DD]	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	EX-A533	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	DTXSID501025866	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	BDBM50441356	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	MFCD23160049	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	NSC772868	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	s7009	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	ZINC95929260	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	CCG-269696	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	CS-1630	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	DB12085	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	NSC-772868	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	NCGC00378579-07	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	AC-32971	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	BP-25378	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	HY-15518	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	J3.566.398C	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	Q27079405	PC_24737642
C26H33FN4O3S	500.6	CNC(C)C(=O)NC(C(=O)N1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N	(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide	PC_24737642
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Pelitinib	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	257933-82-7	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	EKB-569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Pelitinib (EKB-569)	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	WAY-EKB 569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	EKB 569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	WAY-EKB-569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	326894-84-2	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	X5DWL380Z6	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	CHEBI:38927	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	MFCD09837868	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Pelitinib [USAN]	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	EKI-569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Pelitinib [USAN:INN]	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	UNII-X5DWL380Z6	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	EKB569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	EKI 569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(2E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(2e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	93J	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	PELITINIB [INN]	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Pelitinib (USAN/INN)	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Pelitinib - EKB-569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	2-Butenamide, (E)-,	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	PELITINIB [WHO-DD]	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	SCHEMBL93756	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	SCHEMBL93757	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	MLS006010062	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	CHEMBL607707	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	GTPL7644	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	BDBM31090	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	cid_6445562	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	EX-A061	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	BCPP000118	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	BCPP000119	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	ZINC602803	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	BCP02376	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	NSC729742	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	NSC800841	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	s1392	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	AKOS005146343	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	CCG-264890	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	DB05524	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	NSC-729742	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	NSC-800841	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	WAY-172569	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	NCGC00263103-09	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	NCGC00263103-10	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	AC-24700	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	AC-25029	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	AS-16280	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	HY-32718	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	SMR004701222	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Pelitinib (EKB-569; WAY-EKB 569)	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	P2529	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	SW219267-1	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	EC-000.2259	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	D05399	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	933P827	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	A818030	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Q-101404	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	BRD-K08799216-001-01-2	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	Q27088290	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(2E)-N-(-((3-CHLORO-4-FLUOROPHENYL)AMINO)3-CYANO-7-ETHOXYQUINOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide          pelitinib	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-dimethylamino-2-butenamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-[3-Cyano-4-[(4-fluoro-3-chlorophenyl)amino]-7-ethoxyquinoline-6-yl]-4-(dimethylamino)-2-buteneamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-[4-(3-Chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide, (IUPAC)	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	3-Cyano-4-[(3-chloro-4-fluorophenyl)amino]-6-[[4-(N,N-dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxyquinoline	PC_6445562
C24H23ClFN5O2	467.9	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	4-Dimethylaminobut-2-enoic Acid, [4-(3-Chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide	PC_6445562
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Alectinib	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	1256580-46-7	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CH5424802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Alecensa	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	AF-802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CH 5424802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	AF802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	RO5424802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Alectinib (CH5424802)	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	UNII-LIJ4CT1Z3Y	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-ethyl-6,6-dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CH-5424802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	AF 802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	LIJ4CT1Z3Y	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CH5424802(Alectinib)	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-Ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-Ethyl-6,6-Dimethyl-8-[4-(Morpholin-4-Yl)piperidin-1-Yl]-11-Oxo-6,11-Dihydro-5h-Benzo[b]carbazole-3-Carbonitrile	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CHEMBL1738797	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	RO-5424802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	ARQ-761	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-Ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Alectinib [INN]	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-ethyl-6,11-dihydro-6,6-dimethyl-8-(4-(4-morpholinyl)-1-piperidinyl)-11-oxo-5h-benzo(b)carbazole-3-carbonitrile	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Alectinib [USAN:INN]	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	5H-BENZO(B)CARBAZOLE-3-CARBONITRILE, 9-ETHYL-6,11-DIHYDRO-6,6-DIMETHYL-8-(4-(4-MORPHOLINYL)-1-PIPERIDINYL)-11-OXO-	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	5H-Benzo[b]carbazole-3-carbonitrile, 9-ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Alectinib free base	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	EMH	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	ALECTINIB [MI]	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Alectinib (USAN/INN)	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	ALECTINIB [USAN]	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	ALECTINIB [WHO-DD]	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	ch 5424802, Alectinib	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	MLS006010971	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	SCHEMBL896753	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	GTPL7739	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CHEBI:90936	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	AMY3288	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	DTXSID50154840	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	EX-A406	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CH-5424802 HCl	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	HMS3672C13	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	HMS3744I17	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	BCP02589	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	BDBM50362781	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	MFCD19440988	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC764040	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC764821	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC794611	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC799328	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	s2762	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	ZINC66166864	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	1256580-46-7 (free base)	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	AKOS025290737	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	BCP9000514	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CS-0518	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	DB11363	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC-764040	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC-764821	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC-794611	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NSC-799328	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	RG-7853	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	SB16515	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NCGC00346688-01	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NCGC00346688-03	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	NCGC00346688-04	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-Ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	AC-29020	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	AS-17008	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	HY-13011	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	SMR004702775	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	FT-0748626	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CH-5424802/RG-7853	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	D10542	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	EN300-7407832	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	J-005256	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	J-519506	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	Q21099132	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	CH5424802,CAS:1256580-46-7	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-Ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrileCH5424802	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-Ethyl-6,6-dimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5h-benzo[b]carbazol-3-carbonitril	PC_49806720
C30H34N4O2	482.6	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N	9-ETHYL-6,6-DIMETHYL-8-[4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]-11-OXO-5H,6H,11H-BENZO[B]CARBAZOLE-3-CARBONITRILE	PC_49806720
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	AT7867	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	857531-00-1	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	AT-7867	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	4-(4-(1H-pyrazol-4-yl)phenyl)-4-(4-chlorophenyl)piperidine	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	ERF7YL2CE2	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	pyrazole-based inhibitor 9	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	4-(4-chlorophenyl)-4-(4-(1h-pyrazol-4-yl)phenyl)piperidine	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	CHEBI:82708	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	857531-00-1 (free base)	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	Piperidine, 4-(4-chlorophenyl)-4-(4-(1H-pyrazol-4-yl)phenyl)-	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	GVP	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	AT 7867	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	UNII-ERF7YL2CE2	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	MLS006011001	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	CHEMBL428462	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	SCHEMBL1977655	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	BDBM16219	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	DTXSID00457772	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	BCPP000380	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	HMS3295K07	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	HMS3655A05	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	BCP02406	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	EX-A1799	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	AT-867	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	s1558	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	ZINC14961002	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	AKOS025117574	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	BCP9000336	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	CCG-267891	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	CS-0218	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	DB07859	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	EX-8670	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	SB16559	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	NCGC00346549-01	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	NCGC00346549-06	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	AC-30293	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	AS-71158	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	HY-12059	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	SMR004702799	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	FT-0746989	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	SW219380-1	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	A24956	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	J-513483	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	BRD-K12040459-001-01-1	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	Q27097070	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	4-(4-Chloro-phenyl)-4-[4(1H-pyrazol-4-yl)-phenyl]-piperidine	PC_11175137
C20H20ClN3	337.8	Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1	C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl	LZMOSYUFVYJEPY-UHFFFAOYSA-N	4-(4-chloro-phenyl)-4-[4-(1H-pyrazol-4-yl)-phenyl]-piperidine	PC_11175137
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	dactolisib	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	915019-65-7	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NVP-BEZ235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BEZ235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NVP-BEZ 235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BEZ-235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NVPBEZ235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BEZ 235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NVP-BEZ-235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NVP BEZ235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BEZ235 (NVP-BEZ235)	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	RTB101	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	RTB-101	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	RUJ6Z9Y0DT	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NSC-751249	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BEZ235 (NVP-BEZ235, Dactolisib)	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	CHEBI:71952	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	915019-65-7 (free base)	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-Methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	S1009	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NVP-BEZ235-NX	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile.	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Dactolisib [USAN]	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Dactolisib [USAN:INN]	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	UNII-RUJ6Z9Y0DT	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BEZ235(NVP-BEZ235)	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-Methyl-2-(4-{3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl}phenyl)propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Kinome_2911	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	CT-BEZ	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Dactolisib (BEZ235)	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Dactolisib; BEZ-235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	DACTOLISIB [INN]	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Dactolisib (USAN/INN)	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Nvp-bez235, free base	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	mTOR Inhibitor, BEZ235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	DACTOLISIB [WHO-DD]	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	SCHEMBL143623	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	GTPL7950	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	CHEMBL1879463	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BDBM92862	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	AMY2877	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	DTXSID10238599	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	EX-A404	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BCPP000344	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	HMS3244G21	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	HMS3244G22	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	HMS3244H21	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	HMS3672E19	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	ACT04718	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BCP00216	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BEZ235 - NVP-BEZ235	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	MFCD10565944	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NSC751249	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NSC755807	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NSC800085	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	ZINC24760115	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	AKOS005217097	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BCP9000397	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	CCG-207981	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	CS-0080	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	DB11651	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	ES-0038	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NSC 751249	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NSC-755807	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NSC-800085	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	PB26555	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-methyl-2-[3-methyl-2-oxo-8-(3-quinolinyl)-1-imidazo[4,5-c]quinolinyl]propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Dactolisib (BEZ235, NVP-BEZ235)	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NCGC00187481-01	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NCGC00187481-02	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NCGC00187481-04	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NCGC00187481-05	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NCGC00187481-06	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	NCGC00187481-15	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-methyl-2-(4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-1h-imidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	AC-25486	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	HY-50673	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	FT-0658563	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	EC-000.2325	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	EN300-60135	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	D10552	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	J-509915	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Q4835503	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	BRD-K12184916-001-01-4	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Z329731510	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	1028385-31-0	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-Methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)phenyl)propionitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-methyl-2-[4-[3-methyl-2-oxo-8-(3-quinolyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	2-METHYL-2-{4-[3-METHYL-2-OXO-8-(QUINOLIN-3-YL)-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-1-YL]PHENYL}PROPANENITRILE	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	4-[2,3-Dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4, 5-c]quinolin-1-yl]-.alpha.,.alpha.-dimethylbenzeneacetonitrile	PC_11977753
C30H23N5O	469.5	Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	Benzeneacetonitrile, 4-(2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo(4,5-c)quinolin-1-yl)-alpha,alpha-dimethyl-	PC_11977753
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Trametinib	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	871700-17-3	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GSK1120212	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Mekinist	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GSK-1120212	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	JTP 74057	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	JTP-74057	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GSK 1120212	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Trametinib (GSK1120212)	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GSK212	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	TMT212	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Trametinib [USAN]	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	CHEBI:75998	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	TMT-212	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	33E86K87QN	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Trametinib (USAN)	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Acetamide, N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-3,4,6,7-tetrahydro-6,8- dimethyl-2,4,7-trioxopyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)-	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl)phenyl)acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	UNII-33E86K87QN	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Trametinib [USAN:INN]	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	trametinibum	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	JTP74057	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7- tetrahydropyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-(3-{3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7- tetrahydropyrido(4,3-d)pyrimidin-1(2H)-yl}phenyl)acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	QOM	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	TRAMETINIB [MI]	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Trametinib (GSK1120212JTP 74057)	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	TRAMETINIB [INN]	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	TRAMETINIB [VANDF]	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	TRAMETINIB [WHO-DD]	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	SCHEMBL170938	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GTPL6495	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GSK1120212 (Trametinib)	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	CHEMBL2103875	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	EX-A022	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	BCPP000218	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	DTXSID901007381	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	HMS3295I05	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	HMS3656J11	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	BCP02307	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	BDBM50531540	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	MFCD17215075	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	NSC758246	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	NSC800956	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	s2673	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	ZINC43100709	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	AKOS015850628	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	AM90271	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	CCG-264976	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	CS-0060	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	DB08911	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	EX-5957	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	NSC-758246	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	NSC-800956	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	SB16553	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	NCGC00263180-01	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	NCGC00263180-07	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	NCGC00263180-14	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	AC-25891	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	AS-19382	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	HY-10999	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodo-anilino)-6,8-dimethyl-2,4,7-trioxo-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	FT-0688438	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	SW218089-2	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	A25168	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	D10175	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GSK1120212 - JTP-74057	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	EN300-25299821	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	GSK1120212,JTP-74057, GSK212	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	SR-01000941589	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	A1-01871	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	J-523325	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Q7833138	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	SR-01000941589-1	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	BRD-K12343256-001-01-4	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-(3-(3-cyclopropyl-5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl)phenyl)acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,6H,7H-pyrido[4,3-d]pyrimidin-1-yl}phenyl)acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-[3-[3-Cyclopropyl-5-[(2-Fluoro-4-Iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2h)-yl]phe nyl]acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxopyrido[3,4-e]pyrimidin-1-yl]phenyl]acetamide	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-{3-[3-Cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}ethanimidic acid	PC_11707110
C26H23FIN5O4	615.4	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl}acetamide	PC_11707110
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Fedratinib	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	936091-26-8	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Tg-101348	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	TG101348	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SAR302503	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SAR-302503	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-(tert-butyl)-3-((5-methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Inrebic	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SAR 302503	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	TG 101348	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Fedratinib (SAR302503, TG101348)	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	TG101348 (SAR302503)	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	CHEMBL1287853	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	6L1XP550I6	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	936091-26-8 (free base)	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Benzenesulfonamide, N-(1,1-dimethylethyl)-3-((5-methyl-2-((4-(2-(1-pyrrolidinyl)ethoxy)phenyl)amino)-4-pyrimidinyl)amino)-	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-Tert-butyl-3-(5-methyl-2-(4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino)-pyrimidin-4-ylamino)-benzenesulfonamide	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Fedratinib [USAN]	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Fedratinib [USAN:INN]	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	UNII-6L1XP550I6	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	C27H36N6O3S	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	2TA	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	FEDRATINIB [MI]	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	FEDRATINIB [INN]	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Fedratinib (USAN/INN)	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	TG101348(Fedratinib)	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	FEDRATINIB [WHO-DD]	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Fedratinib (TG101348)	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	MLS006011155	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SCHEMBL263741	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	GTPL5716	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	CHEBI:91408	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	DTXSID90239483	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	EX-A170	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	HMS3295I03	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	HMS3656L19	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	HMS3744G17	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	HMS3868L03	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	BCP02300	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	BDBM50332294	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	MFCD12922515	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	NSC767600	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	NSC800099	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	s2736	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	ZINC19862646	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	AKOS015842621	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	CCG-264990	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	CS-0052	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	DB12500	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	EX-5961	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	NSC-767600	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	NSC-800099	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SB14604	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	NCGC00244252-01	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	NCGC00244252-07	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	AC-30260	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	AS-16248	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	DA-40258	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	HY-10409	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SMR004702929	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	DB-079623	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	FT-0705969	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	FT-0763396	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	FT-0766818	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SW218187-2	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	A25534	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	D10630	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	F17372	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	091D268	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	J-523769	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Q7670147	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	BRD-K12502280-001-01-5	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	Z2037280076	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	945381-69-1	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-TERT-BUTYL-3-((5-METHYL-2-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)ANILINO(PYRIMIDIN-4-YL)AMINO)BENZENESULFONAMIDE	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzene-1-sulfonamide	PC_16722836
C27H36N6O3S	524.7	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	SAR302503, N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide	PC_16722836
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CX-5461	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	1138549-36-6	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CX5461	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CX 5461	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(4-methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamide	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	Pidnarulex	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	3R4C5YLB9I	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(4-Methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo(4,5)thiazolo(3,2-a)(1,8)naphthyridine-6-carboxamide	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-5H-benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	UNII-3R4C5YLB9I	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CS-0568	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	PIDNARULEX [INN]	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CHEMBL4303309	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	SCHEMBL12254622	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CHEBI:95090	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	DTXSID20150591	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CHEBI:156287	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	HMS3426K15	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	BCP02547	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	EX-A1303	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	NSC782164	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	s2684	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	AKOS026750351	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	ZINC100015134	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	BCP9000561	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	NSC-782164	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	SB17209	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	NCGC00346627-01	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	NCGC00346627-04	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	NCGC00346627-08	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	AC-32745	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	AS-16363	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	BC168026	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	HY-13323	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	H11164	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	J-506426	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	CX-5461,CAS:1138549-36-6	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	Q27166854	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(4-Methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	2-(Hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-n-[(5-Methyl-2-pyrazinyl)methyl]-5-oxo-5h-Benzothiazolo[3,2-a][1,8]naphthyridine-6-carbo xamide	PC_25257557
C27H27N7O2S	513.6	Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N	5H-BENZOTHIAZOLO(3,2-A)(1,8)NAPHTHYRIDINE-6-CARBOXAMIDE, 2-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-N-((5-METHYL-2-PYRAZINYL)METHYL)-5-OXO-	PC_25257557
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PFI-1	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	1403764-72-6	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	2-Methoxy-N-(3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazolin-6-Yl)benzenesulfonamide	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PFI-1 (PF-6405761)	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PF-6405761	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PFI 1	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PF-06405761	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	HY-16586	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	CHEMBL2179387	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	QCR-192	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PFI1	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	GTPL7523	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	SCHEMBL14721611	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	CHEBI:95079	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	DTXSID90744264	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	EX-A480	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	4e96	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	HMS3426C13	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	HMS3651E05	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	BCP07505	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	BDBM50399434	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	MFCD22580416	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	NSC768123	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	NSC777448	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	s1216	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	ZINC86003193	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	AKOS024458163	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	CCG-268000	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	CS-1362	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	NSC-768123	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	NSC-777448	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	SB19334	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	2-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfon amide	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PFI-1, >=98% (HPLC)	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	NCGC00344624-13	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PFI-1(PF-6405761)	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	AC-32714	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	AS-16355	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	BP-25371	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	DA-45320	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	FT-0696776	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PFI-1 (PF-06405761)	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	SW219427-1	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	PF 06405761	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	EN300-6493136	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	J-007379	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	Q27088338	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	Z1730011930	PC_71271629
C16H17N3O4S	347.4	COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N	2-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydro-quinazolin-6-yl)-bezenesulfonamide	PC_71271629
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AR-42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	935881-37-1	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	OSU-HDAC42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	(S)-HDAC-42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	(S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AR 42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	HDAC-42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AR42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	(S)-HDAC 42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	OSU-HDAC 42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	E0GG29V0AQ	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	Rec-2282	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	N-Hydroxy-4-(3-methyl-2-(S)phenyl-butyrylamino)benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	(S)-(+)-N-Hydroxy-4-(3-methyl-2-phenyl-butyrylamino)-benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AR-42 (OSU-HDAC42)	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	UNII-E0GG29V0AQ	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	MLS006011089	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	CHEMBL191482	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	OSU-42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	SCHEMBL2348844	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	DTXSID4042678	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	CHEBI:188197	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AR-42 (HDAC-42)	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AR-42 - HDAC-42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	HMS3648K08	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	BCP26343	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	EX-A5651	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	BDBM50475225	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	s2244	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	ZINC13671721	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	BCP9000313	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	CCG-208672	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	CS-0488	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	DB12707	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	NSC-736012	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	Benzeneacetamide, N-(4-((hydroxyamino)carbonyl)phenyl)-alpha-(1-methylethyl)-, (alphaS)-	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	NCGC00263153-01	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	NCGC00263153-05	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	NCGC00263153-10	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AS-16777	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	HY-13265	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	SMR004702877	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	SW219772-1	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	C77219	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	A844642	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	SR-01000946381	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	J-519595	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	SR-01000946381-1	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	Q27276699	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	N-Hydroxy-4-[(S)-3-methyl-2-phenylbutyrylamino]benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	AR-42|935881-37-1|OSU-HDAC42|AR42|AR 42	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	(S)-(+)-N-Hydroxy-4-(3-methyl-2-phenyl-butyrylamino)benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	(s)-(+)-N-hydroxy-4-(3-methyl-2-phenylbutyrylamino)-benzamide	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	N-HYDROXY-4-(3-METHYL-2-(S)-PHENYL-BUTYRYLAMINO) BENZAMIDE	PC_6918848
C18H20N2O3	312.4	CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO	LAMIXXKAWNLXOC-INIZCTEOSA-N	BENZENEACETAMIDE, N-(4-((HYDROXYAMINO)CARBONYL)PHENYL)-.ALPHA.-(1-METHYLETHYL)-, (.ALPHA.S)-	PC_6918848
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AT7519	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	844442-38-2	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AT-7519	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AT 7519	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	902135-91-5	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AT7519 Hydrochloride	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	Cdki at7519	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AT-7519 free base	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	X1BF92PW9T	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	1H-Pyrazole-3-carboxamide, 4-((2,6-dichlorobenzoyl)amino)-n-4-piperidinyl	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid N-(piperidin-4-yl)amide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	844442-38-2 (free base),	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	UNII-X1BF92PW9T	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	LZE	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	pyrazole diamide, 33	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	MLS006010064	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	SCHEMBL955568	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	CHEMBL445813	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	GTPL5662	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	JMC514986 Compound 33	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	SCHEMBL21134171	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	BDBM24654	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	CHEBI:91326	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	DTXSID30233420	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	EX-A225	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	BCPP000381	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	HMS3265A09	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	HMS3265A10	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	HMS3265B09	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	HMS3265B10	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	HMS3654F20	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	BCP02166	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AT-519	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	BDBM50113281	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	MFCD13184820	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NSC773394	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NSC799338	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	s1524	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	ZINC16052857	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AKOS026674096	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AKOS037515688	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	BCP9000335	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	CCG-264904	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	CS-0017	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	DB08142	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NSC-773394	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NSC-799338	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	SB16654	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NCGC00263091-01	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NCGC00263091-02	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NCGC00263091-15	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	NCGC00263091-16	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AC-29010	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	AS-19551	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	HY-50940	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	SMR004701224	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	FT-0754016	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	SW219609-1	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	J-523077	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	BRD-K13390322-001-01-4	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	Q27074569	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-pyrazole-3,4-diamido	PC_11338033
C16H17Cl2N5O2	382.2	O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N	4-[(2,6-dichlorobenzene)amido]-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide	PC_11338033
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	445430-58-0	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BMS-345541	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BMS-345541 free base	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BMS345541	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	IKK Inhibitor III, BMS-345541	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	N1-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	IKK Inhibitor III	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BMS-345541(free base)	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	1,2-Ethanediamine, N-(1,8-dimethylimidazo(1,2-a)quinoxalin-4-yl)-	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	26SU0NEF5F	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	445430-58-0 (free base)	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	N'-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	1,2-Ethanediamine, N1-(1,8-dimethylimidazo(1,2-a)quinoxalin-4-yl)-	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BMS-345541 (free base)	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	Kinome_3215	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	UNII-26SU0NEF5F	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	SCHEMBL118886	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	CHEMBL249697	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	GTPL5669	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BDBM25919	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	CHEBI:91340	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	DTXSID60196216	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	HMS2043P05	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	HMS3653F06	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BCP06508	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	EX-A2033	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	VSA43058	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	ZINC1554390	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	s8044	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	CCG-267014	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	CS-1238	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	NCGC00165761-01	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	NCGC00165761-02	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	NCGC00165761-10	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	AC-33134	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	AS-76298	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	DA-42424	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	HY-10519	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	SW219432-1	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	D94989	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	CU-00000000044-1	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	Q4836000	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	BRD-K13566078-001-01-5	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a) quinoxaline	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	N-(2-aminoethyl)-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine	PC_9813758
C14H17N5	255.32	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN	PSPFQEBFYXJZEV-UHFFFAOYSA-N	N-(2-aminoethyl)-3,12-dimethyl-2,5,8-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaen-7-amine	PC_9813758
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Midostaurin	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	120685-11-2	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	PKC-412	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	PKC412	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Cgp 41251	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	4'-N-Benzoylstaurosporine	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	PKC 412	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	RYDAPT	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CGP-41251	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Benzoylstaurosporine	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	N-Benzoylstaurosporine	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	ID912S5VON	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NVP-PKC412	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CHEMBL608533	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CHEBI:63452	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NSC-656576	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	N-((9S,10R,11R,13R)-10-methoxy-9-methyl-1-oxo-2,3,10,11,12,13-hexahydro-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-N-methylbenzamide	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Midostaurin [INN]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Cgp 41 251	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Midostaurin [USAN:INN]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	UNII-ID912S5VON	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CGP41251	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CGP 41231	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Rydapt (TN)	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Midostaurin(PKC412)	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	4-N-benzoylstaurosporine	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	MIDOSTAURIN [MI]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Staurosporine, N-Benzoyl	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	MIDOSTAURIN [JAN]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	MIDOSTAURIN [USAN]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	MIDOSTAURIN [MART.]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	MIDOSTAURIN [WHO-DD]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Midostaurin (JAN/USAN/INN)	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	GTPL5702	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	SCHEMBL8295379	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	MIDOSTAURIN [ORANGE BOOK]	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	HMS3229K17	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	EX-A1741	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	BDBM50326053	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CGP-41521	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	MFCD00871372	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NSC800791	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	s8064	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	AKOS024457372	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	ZINC100013130	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CCG-101288	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	CS-3331	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	DB06595	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NSC 656576	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NSC-800791	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NCGC00241102-01	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NCGC00241102-02	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NCGC00241102-05	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	NCGC00484987-03	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	AC-31929	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Benzamide, N-(2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-1-oxo-8,12-epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-10-yl)-N-methyl-, (8alpha,9beta,10beta,12alpha)-	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	HY-10230	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	C71714	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	D05029	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	J-004379	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Q6842945	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	BRD-K13646352-001-01-2	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	[9S-(9?,10?,11?,13?)]-N-(2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl)-N-methylbenzamide	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	Benzamide, N-((9S,10R,11R,13R)-2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-N-methyl-	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	N-((5S,6R,7R,9R)-6-Methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-7-yl)-N-methylbenzamide	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-4-yl]-N-methylbenzamide	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaen-4-yl]-N-methyl-benzamide	PC_9829523
C35H30N4O4	570.6	COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N	N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide	PC_9829523
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	Dinaciclib	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	779353-01-4	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SCH727965	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	Dinaciclib (SCH727965)	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SCH-727965	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SCH 727965	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	MK-7965	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	(S)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)pyridine 1-oxide	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	1-[3-Ethyl-7[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2(s)-piperidineethanol	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	DINACICLIB [INN]	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	Dinaciclib (USAN/INN)	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	DINACICLIB [USAN]	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	4V8ECV0NBQ	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	DINACICLIB [WHO-DD]	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	MLS006011034	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	GTPL7379	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	CHEMBL2103840	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SCHEMBL12048446	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	CHEBI:95060	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	BDBM50139171	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	MFCD16037702	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	NSC747135	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	NSC764036	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	NSC800091	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	s2768	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	ZINC34894449	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	AKOS030526898	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	CCG-268610	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	CS-0541	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	DB12021	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	NSC-727135	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	NSC-747135	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	NSC-764036	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	NSC-800091	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	AC-32835	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	AS-17017	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	HY-10492	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SMR004702827	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	PS-095760	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SCH 727965,SCH727965, Dinaciclib	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SW220016-1	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	D09604	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	A855880	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	J-501008	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	BRD-K13662825-001-02-6	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	Q15723091	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	(S)-3-((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2S-piperidineethanol	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	2-PIPERIDINEETHANOL, 1-(3-ETHYL-7-(((1-OXIDO-3-PYRIDINYL)METHYL)AMINO)PYRAZOLO(1,5- A)PYRIMIDIN-5-YL)-, (2S)-	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	3-[[[3-Ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine 1-oxide	PC_46926350
C21H28N6O2	396.5	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N	SCH-727965; PS095760;(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol	PC_46926350
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	Tenovin-6	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	1011557-82-6	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	Tenovin 6	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	4-tert-Butyl-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	CHEMBL595354	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	CHEBI:77729	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)phenylcarbamothioyl)benzamide	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	4-tert-butyl-N-[(4-{[5-(dimethylamino)pentanoyl]amino}phenyl)carbamothioyl]benzamide	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	MFCD11976906	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	Tnv 6	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	SCHEMBL907478	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	US8501991, Tenovin 6	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	BDBM99917	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	DTXSID50647242	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	EX-A350	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	HMS3648C14	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	HMS3652F12	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	BCP08547	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	ZINC43196009	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	AKOS026750220	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	CCG-208692	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	CS-1976	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	4-(tert-butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	NCGC00263616-04	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	AC-32966	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	AS-16762	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	Benzamide, N-[[[4-[[5-(dimethylamino)-1-oxopentyl]amino]phenyl]amino]thioxomethyl]-4-(1,1-dimethylethyl)-	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	DA-48390	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	HY-15510	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	Tenovin6 ;Tenovin 6;Tnv-6; Tnv6;Tnv 6	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	FT-0708864	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	SW220061-1	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	SR-01000946351	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	J-000331	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	SR-01000946351-1	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	Q27147321	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	F1W	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	N-[[[4-[[5-(dimethylamino)-1-oxopentyl]amino]phenyl]amino]thioxomethyl]-4- (1,1-dimethylethyl)-benzamide	PC_24772043
C25H34N4O2S	454.6	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C	BVJSXSQRIUSRCO-UHFFFAOYSA-N	N-[[[4-[[5-(Dimethylamino)-1-oxopentyl]amino]phenyl]amino]thioxomethyl]-4-(1,1-dimethylethyl)-benzamide	PC_24772043
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	890842-28-1	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	GSK 650394	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	GSK650394	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	GSK-650394	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	CHEMBL558642	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	56887611DJ	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl-benzoic acid	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	Benzoic acid, 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo(2,3-b)pyridin-3-yl)-	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid.	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	UNII-56887611DJ	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	DXV	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	MLS006010262	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	GTPL8040	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	SCHEMBL3767908	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	CHEBI:95066	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	DTXSID60237532	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	HMS2043A20	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	HMS3413P22	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	HMS3653A19	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	HMS3677P22	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	HMS3743K03	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	BCP08392	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	EX-A2233	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	BDBM50296011	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	MFCD12828779	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	s7209	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	ZINC43015507	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	AKOS024457693	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	CCG-265020	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	CS-1853	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	NCGC00250410-01	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	NCGC00250410-12	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	NCGC00250410-15	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	AC-32637	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	AS-16796	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	DA-01459	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	HY-15192	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	SMR004701335	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	FT-0742103	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	SW219479-1	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	J3.540.996C	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	C76995	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	BRD-K14991967-001-01-8	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	Q27077915	PC_25022668
C25H22N2O2	382.5	O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-benzoic acid	PC_25022668
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	Obatoclax	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	CHEMBL408194	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	Obatoclax [INN]	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	803712-67-6	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	GX15-070	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	QN4128B52A	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	Obatoclax, Free Base	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	OBATOCLAX [WHO-DD]	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	SCHEMBL631676	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	CHEMBL4525540	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	CHEMBL4802292	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	SCHEMBL16340850	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	1H-indole, 2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	BDBM50376902	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	HY-10969A	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	NSC763888	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	ZINC136873052	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	DB12191	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	NSC-763888	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	NCGC00387855-01	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	CS-0025474	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	BRD-K15600710-066-01-7	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-IAZSKANUSA-N	2-[(5Z)-5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-yl]-1H-indole	PC_11404337
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	Obatoclax	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	Obatoclax [INN]	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	803712-67-6	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	GX15-070	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	GX-15-070	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	QN4128B52A	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	UNII-QN4128B52A	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	GX 05-070	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	1H-indole, 2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	GX 015-070	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	DTXSID701029688	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-OBPOFPIRSA-N	2-[5(3,5-dimethyl-1h-pyrrol-2-ylmethylene)-4-methoxy-5h-pyrrol-2-yl]-1h-indole	PC_45356963
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	Obatoclax	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	803712-67-6	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	GX15-070	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	SB16622	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	NCGC00263166-01	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	Q27166369	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-UHFFFAOYSA-N	2-[5-[(3,5-Dimethyl-2H-pyrrole-2-ylidene)methyl]-4-methoxy-1H-pyrrole-2-yl]-1H-indole	PC_57353643
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-WQFBLXOWSA-N	Obatoclax	PC_66751253
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-WQFBLXOWSA-N	SCHEMBL17594467	PC_66751253
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-WQFBLXOWSA-N	ZINC29052268	PC_66751253
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-WQFBLXOWSA-N	Q7074645	PC_66751253
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C/2\C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-GYSREZARSA-N	Obatoclax	PC_40637217
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C/2\C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-GYSREZARSA-N	803712-67-6	PC_40637217
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C/2\C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-GYSREZARSA-N	BCP20625	PC_40637217
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C/2\C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C	CVCLJVVBHYOXDC-GYSREZARSA-N	ZINC6717973	PC_40637217
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	Obatoclax	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	803712-67-6	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	1H-Indole,2-[2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl]-	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	2-{(2Z)-2-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl}-1H-indole	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	SB16622	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	2-((2z)-2-((3,5-dimethyl-1h-pyrrol-2-yl)methylene)-3-methoxy-2h-pyrrol-5-yl)-1h-indole	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	GX15-070	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	GX-15-070	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	GTPL11086	PC_46930997
C20H19N3O	317.4	COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C	CC1=CC(=C(N1)/C=C\2/C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-LKIBBAOUSA-N	2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole	PC_46930997
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	414864-00-9	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	PXD101	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat (PXD101)	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	866323-14-0	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Beleodaq	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	PXD-101	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	NSC726630	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-HYDROXY-3-(3-PHENYLSULFAMOYLPHENYL)ACRYLAMIDE	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	PXD 101	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	PX-105684	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	PX105684	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	F4H96P17NZ	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	CHEBI:61076	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-HYDROXY-3-[3-[(PHENYLAMINO)SULFONYL]PHENYL]-2-PROPENAMIDE	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	2-Propenamide, N-hydroxy-3-[3-[(phenylamino)sulfonyl]phenyl]-, (2E)-	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	NSC-726630	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]acrylamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	PX 105684	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-hydroxy-3-(3-(phenylsulfamoyl)phenyl)prop-2-enamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	2-Propenamide, N-hydroxy-3-(3-((phenylamino)sulfonyl)phenyl)-	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	E-Belinostat	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	2-Propenamide, N-hydroxy-3-(3-((phenylamino)sulfonyl)phenyl)-, (2E)-	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat [USAN]	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat [USAN:INN]	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	UNII-F4H96P17NZ	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(2E)-N-HYDROXY-3-(3-(PHENYLSULFAMOYL)PHENYL)PROP-2-ENAMIDE	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-HYDROXY-3-(3-((PHENYLAMINO)SULFONYL)PHENYL)-2-PROPENAMIDE	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat Ph3	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Beleodaq (TN)	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-Hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BELINOSTAT [MI]	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat - PXD101	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BELINOSTAT [INN]	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat (USAN/INN)	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BELINOSTAT [VANDF]	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]-2-propenamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BELINOSTAT [WHO-DD]	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-Hydroxy-3-(3-phenylsulphamoylphenyl)acrylamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	MLS006011091	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	CHEMBL408513	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	GTPL7496	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BELINOSTAT [ORANGE BOOK]	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BDBM25150	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	CHEBI:94531	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	AMY1792	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	DTXSID60194378	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	EX-A180	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enehydroxamic acid	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BCPP000351	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BCP01741	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	ZINC3818726	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Belinostat,PXD101, PX105684	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	MFCD08064035	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	NSC758774	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	s1085	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	AKOS025401741	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BCP9000386	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	CCG-208758	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	DB05015	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	NSC-758774	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	NCGC00263155-02	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	NCGC00263155-05	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	AC-25046	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	AC-35365	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	AS-17068	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	SMR004702879	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	B5888	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	SW219445-1	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	EC-000.2286	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	A25012	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	D08870	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	EN300-7361191	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	J-523584	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	Q4882925	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	BRD-K17743125-001-01-9	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	N-Hydroxy-3-[(phenylamino)sulfonyl]-trans-cinnamamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	(E)-N-Hydroxy-3-(3-phenylsulfamoyl-phenyl)-acrylamide	PC_6918638
C15H14N2O4S	318.3	O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	5OG	PC_6918638
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	mitoxantrone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	65271-80-9	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxanthrone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitozantrone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	DHAQ	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantron	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Novantrone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrona	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantronum	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrone [INN]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Misostol	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NSC 279836	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NSC-279836	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	DHAD	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NSC279836	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrone (INN)	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrone free base	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BZ114NVM5P	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Dihydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MLS002703044	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	CHEBI:50729	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	65271-80-9 (free base)	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MFCD00242942	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantronum [INN-Latin]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrona [INN-Spanish]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NSC299195	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NSC301739	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10-dione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-anthracenedione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	ANTHRAQUINONE, 5,8-BIS((2-((2-HYDROXYETHYL)AMINO)ETHYL)AMINO)-1,4-DIHYDROXY-	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MIX	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis[2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]ethylamino]anthracene-9,10-dione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MLS001333711	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Misostol (TN)	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	CCRIS 7604	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-02	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrone (free base)	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SMR000058480	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrone [INN:BAN]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	CAS-70476-82-3	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	UNII-BZ114NVM5P	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	DHAQ (*Diacetate salt*)	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRN 2795126	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SR-01000076001	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrone base	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Dihydroxy-5,8-bis(5-hydroxy-3-azapentylamino)anthrachinon	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	2fum	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis(2-(2-hydroxyethylamino)ethylamino)anthracene-9,10-dione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthracene-9,10-dione	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Immunex (Salt/Mix)	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Spectrum_001655	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	CHEMBL58	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Prestwick0_000385	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Prestwick1_000385	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Prestwick2_000385	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Prestwick3_000385	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Spectrum2_000908	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Spectrum3_001590	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Spectrum4_000866	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Spectrum5_001205	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Lopac-M-6545	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MITOXANTRONE [MI]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MITOXANTRONE [IARC]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	cid_4212	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Neuro_000153	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SCHEMBL3000	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthra-9,10-quinone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MITOXANTRONE [VANDF]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BIDD:PXR0181	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Lopac0_000779	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BSPBio_000569	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BSPBio_003160	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KBioGR_001531	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KBioSS_002135	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	DivK1c_000516	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MITOXANTRONE [WHO-DD]	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SPBio_000756	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SPBio_002490	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BPBio1_000627	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	GTPL7242	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	DTXSID4046947	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BDBM67690	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	cid_5458171	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KBio1_000516	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KBio2_002135	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KBio2_004703	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KBio2_007271	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KBio3_002660	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NINDS_000516	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	HMS2090D05	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	HMS3655E20	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KUC108634N	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BCP02861	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	ZINC3794794	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	CCG-36371	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	s1889	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	STK631833	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Mitoxantrone hydrochloride (Salt/Mix)	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AKOS005564036	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BCP9000931	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	DB01204	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	KSC-19-204	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SDCCGSBI-0050757.P004	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	IDI1_000516	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SMP2_000179	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-01	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-03	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-04	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-05	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-06	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-08	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-13	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00015693-23	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCGC00162251-01	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AS-35321	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	HY-13502	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MITOXANTRONE, Mitoxantrone Hydrochloride, Mitoxantrone dihydrochloride, MITOXANTHRONE HYDROCHLORIDE	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCI60_002276	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	NCI60_002535	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SMR001549953	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SY226320	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SBI-0050757.P003	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AB00053716	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	FT-0630752	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	FT-0672423	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	M3133	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SW196745-6	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	VU0244399-2	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	71M809	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	D08224	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	EN300-117257	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AB00053716-18	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AB00053716-19	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AB00053716-22	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AB00053716_23	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	AB00053716_24	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	Q239426	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	SR-01000076001-7	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRD-K21680192-001-01-5	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRD-K21680192-001-11-4	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRD-K21680192-300-05-2	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRD-K21680192-300-07-8	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRD-K21680192-300-09-4	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRD-K21680192-300-10-2	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	BRD-K21680192-300-12-8	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-bis[2-(2-hydroxyethylamino)-ethylamino]-5,8-dihydroxyanthraquinone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-dihydroxyanthraquinone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis[[2-(2-hydroxyethylamino)ethyl]amino]anthraquinone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	9, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl] amino]-	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Bis[[2-[(2-hydroxyethyl)amino]ethyl]imino]-1,4-dihydroanthracene-5,8,9,10-tetrol	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-Dihydroxy-5,8-bis-[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthraquinone	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;hydrochloride	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;hydrochloride	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;hydrochloride	PC_4212
C22H28N4O6	444.5	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N	MITOXANTRONE; 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE	PC_4212
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Apitolisib	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	1032754-93-0	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC-0980	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC0980	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	RG7422	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GNE 390	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC 0980	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC-0980 (Apitolisib)	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	RG 7422	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC-0980 (RG7422)	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Gne-390	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	RG-7422	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	1C854K1MIJ	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	CHEMBL1922094	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC-0980.1	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Apitolisib (GDC-0980, RG7422)	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(2s)-1-(4-{[2-(2-Aminopyrimidin-5-Yl)-7-Methyl-4-(Morpholin-4-Yl)thieno[3,2-D]pyrimidin-6-Yl]methyl}piperazin-1-Yl)-2-Hydroxypropan-1-One	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	G-038390	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	G-038390.1	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one.	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GNE 390; GDC 0980; RG 7422	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Apitolisib [USAN:INN]	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	UNII-1C854K1MIJ	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	APITOLISIB [INN]	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Apitolisib (USAN/INN)	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	APITOLISIB [USAN]	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Apitolisib(GDC-0980)	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Apitolisib (GDC-0980)	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	APITOLISIB [WHO-DD]	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	SCHEMBL466297	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GTPL7888	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	DTXSID50145738	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	EX-A041	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	BCP02622	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	BDBM50358204	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC-0980,RG7422	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	MFCD20274520	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	NSC764091	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	NSC799334	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	s2696	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	ZINC59224388	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	AKOS027250725	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	BCP9000717	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	CCG-269678	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	CS-0590	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	DB12180	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	NSC-764091	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	NSC-799334	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC-0980 - RG7422	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	NCGC00263109-03	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	NCGC00263109-13	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperaz	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	AS-16289	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	HY-13246	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	SW219472-1	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	D10543	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	CAS:1032754-93-0;GDC-0980	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	GDC-0980,CAS:1032754-93-0	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	J-502360	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	Q27074481	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(2S)-1-(4-((2-(2-AMINOPYRIMIDIN-5-YL)-7-METHYL-4-(MORPHOLIN-4-YL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL(PIPERAZIN-1-YL)-2-HYDROXYPROPAN-1-ONE	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(S)-1-(4-((2-(2-AMINOPYRIMIDIN-5-YL)-7-METHYL-4-(MORPHOLIN-4-YL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL)PIPERAZIN-1-YL)-2-HYDROXYPROPAN-1-ONE	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	(S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1 -one	PC_25254071
C23H30N8O3S	498.6	Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	YOVVNQKCSKSHKT-HNNXBMFYSA-N	1-PROPANONE, 1-(4-((2-(2-AMINO-5-PYRIMIDINYL)-7-METHYL-4-(4-MORPHOLINYL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL)-1-PIPERAZINYL)-2-HYDROXY-, (2S)-	PC_25254071
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NVP-AEW541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	475489-16-8	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	475488-34-7	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AEW-541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AEW541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NVP-AEW 541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AVP-AEW541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AEW-541 free base	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AEW 541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7-((1s,3s)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7-[TRANS-3-(1-AZETIDINYLMETHYL)CYCLOBUTYL]-5-[3-(PHENYLMETHOXY)PHENYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	CHEMBL1614712	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	97QB5037VR	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	475488-34-7 (free base)	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7-[cis-3-(Azetidin-1-Ylmethyl)cyclobutyl]-5-[3-(Benzyloxy)phenyl]-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7-((1r,3r)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	UNII-97QB5037VR	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NVP AEW541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NVP-AEW541-A	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	SCHEMBL94862	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	[7-[cis-3-[(Azetidin-1-yl)methyl]cyclobutyl]-5-(3-benzyloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NVP-AEW-541	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	GTPL8067	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	SCHEMBL1441421	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	SCHEMBL1987652	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	CHEMBL3188172	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	DTXSID60467110	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	EX-A474	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	BCPP000146	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	BDBM185145	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	HMS3654O07	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	BCP02417	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	BDBM50157879	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	MFCD22741515	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NSC767006	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NSC799326	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	s1034	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	ZINC63308092	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AKOS032947252	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	ZINC100073728	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	ZINC101793481	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	BCP9001006	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	CCG-269117	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	CS-0448	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NSC-767006	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NSC-799326	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	PB19343	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	SB20027	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NCGC00346461-01	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	NCGC00386199-02	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7-[trans-3-[(Azetidin-1-yl)methyl]cyclobutyl]-5-(3-benzyloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, 7-[CIS-3-(1-AZETIDINYLMETHYL)CYCLOBUTYL]-5-[3-(PHENYLMETHOXY)PHENYL]-	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AC-32800	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	AS-77237	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	HY-50866	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	CS-0006275	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	FT-0698451	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	FT-0744338	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	SW219740-1	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	A900719	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	J-519063	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	Q27088111	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	Q27272024	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	Q27456231	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	66A	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(phenylmethoxy)phenyl]pyrrolo[3,2-e]pyrimidin-4-amine	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	7H-Pyrrolo[2,3-d]pyriMidin-4-aMine,7-[trans-3-(1-azetidinylMethyl)cyclobutyl]-5-[3-(phenylMethoxy)phenyl]-	PC_11476171
C27H29N5O	439.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	cis-7-(3-azetidin-1-ylmethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine	PC_11476171
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	OSI-930	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	728033-96-3	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	OSI 930	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	OSI930	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	3-(quinolin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)thiophene-2-carboxamide	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	G1PEG5Q9Y2	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	3-((quinolin-4-ylmethyl)amino)-N-(4-(trifluoromethoxy)phenyl)thiophene-2-carboxamide	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	CHEMBL1614710	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	UNII-G1PEG5Q9Y2	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	3-[(4-Quinolinylmethyl)amino]-N-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxamide	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	MLS006010277	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	SCHEMBL633719	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	GTPL9383	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	OSI 930 [WHO-DD]	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	CHEBI:91433	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	DTXSID60993606	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	HMS3295O11	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	HMS3654H03	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	BCP02118	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	EX-A2118	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	ZINC3962535	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	BDBM50356877	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	NSC766887	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	NSC800811	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	s1220	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	AKOS026750567	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	BCP9001037	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	CCG-264867	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	CS-0174	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	DB05913	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	NSC-766887	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	NSC-800811	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	SB16588	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	3-{[(Quinolin-4-yl)methyl]amino}-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	NCGC00263159-01	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	NCGC00263159-08	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	NCGC00263159-10	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	AC-32066	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	AS-55949	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	HY-10204	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	SMR004701347	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	SW219794-1	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	F20785	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	J-511431	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	BRD-K25340465-001-01-2	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	Q27163281	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	n-(4-trifluoromethoxyphenyl) 3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide	PC_9868037
C22H16F3N3O2S	443.4	O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12	C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F	FGTCROZDHDSNIO-UHFFFAOYSA-N	2-THIOPHENECARBOXAMIDE, 3-((4-QUINOLINYLMETHYL)AMINO)-N-(4-(TRIFLUOROMETHOXY)PHENYL)-	PC_9868037
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	Afuresertib	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	1047644-62-1	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	GSK-2110183	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	GSK2110183C	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	Afuresertib [USAN]	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	ASB183	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	ASB-183	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	GSK 2110183C	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	Afuresertib (GSK2110183)	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	Afuresertib (USAN)	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	8739X25QI3	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	GSK-2110183C	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	2-Thiophenecarboxamide, N-((1S)-2-amino-1-((3-fluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	Afuresertib [USAN:INN]	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	UNII-8739X25QI3	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	2-Thiophenecarboxamide, N-[(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-((1S)-1-(aminomethyl)-2-(3-fluorophenyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-((2S)-1-AMINO-3-(3-FLUOROPHENYL)PROPAN-2-YL)-5-CHLORO-4-(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)THIOPHENE-2-CARBOXAMIDE	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-[(1S)-1-(Aminomethyl)-2-(3-fluorophenyl)ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	AFURESERTIB [INN]	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	AFURESERTIB [WHO-DD]	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	SCHEMBL187686	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	GTPL7890	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	CHEMBL2219422	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	DTXSID60146711	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	CHEBI:131168	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	BCP08435	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	EX-A1574	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	BDBM50502477	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC778305	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC781255	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC800109	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC829868	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	s7521	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	ZINC43197674	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	CCG-268972	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	CS-3384	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	DB11648	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC-778305	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC-781255	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC-800109	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NSC-829868	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	GSK 2110183	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	NCGC00387879-03	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	AC-35761	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	BA166066	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	BS-14212	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	HY-15727	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	A16392	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	D10381	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	D71036	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	A853608	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	Afuresertib, GSK-2110183, GSK-2110183B	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	Q27224945	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-((S)-1-amino-3-(3-fluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-((S)-1-amino-3-(3-fluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide;Afuresertib	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide	PC_46843057
C18H17Cl2FN4OS	427.3	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N	N-{(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide	PC_46843057
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	pinometostat	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	EPZ-5676	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	1380288-87-8	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	EPZ5676	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Pinometostat, trans-	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Pinometostat [INN]	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Pinometostat anhydrous	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	8V9YR09EF3	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	1380288-88-9	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	CHEMBL3087499	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	CHEMBL3414626	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	F66X4M38G5	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	EPZ-005676	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((lr,3S)-3-(2-(5-(tert-butyl)-lH-benzo[d]imidazol2yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	5'-[{cis-3-[2-(5-Tert-Butyl-1h-Benzimidazol-2-Yl)ethyl]cyclobutyl}(Propan-2-Yl)amino]-5'-Deoxyadenosine	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	UNII-8V9YR09EF3	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	UNII-F66X4M38G5	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	trans-pinometostat	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Pinometostat(EPZ5676)	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Pinometostat (EPZ5676)	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	PINOMETOSTAT [WHO-DD]	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	GTPL7019	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	SCHEMBL9106942	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	SCHEMBL9106946	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	CHEMBL4079133	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	SCHEMBL10248515	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	SCHEMBL16129027	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	SCHEMBL17433346	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	SCHEMBL17767408	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	DTXSID20720950	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	EX-A316	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	CHEBI:124919	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	BDBM244791	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	BCP14198	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	EPZ 5676	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	BDBM50075098	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	BDBM50443022	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	EPZ-5676;EPZ5676;Pinometostat	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	MFCD24849416	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NSC778365	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NSC795144	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	s7062	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	ZINC98043806	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	ZINC100074350	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	ZINC168212088	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	CCG-270061	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	CS-1419	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	DB12920	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NSC-778365	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NSC-795144	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NCGC00351597-01	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NCGC00351597-02	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NCGC00351597-09	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NCGC00351597-10	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NCGC00351597-14	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	NCGC00351597-16	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	9H-Purin-6-amine, 9-(5-deoxy-5-((cis-3-(2-(6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl)ethyl)cyclobutyl)(1-methylethyl)amino)-beta-D-ribofuranosyl)-	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	9H-Purin-6-amine, 9-(5-deoxy-5-((trans-3-(2-(6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl)ethyl)cyclobutyl)(1-methylethyl)amino)-beta-D-ribofuranosyl)-	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	AC-32709	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	HY-15593	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	US9446064, A3	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	SW220122-1	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	J3.532.234E	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	J-690152	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	BRD-K26531771-001-02-2	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Q27088395	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Q27215234	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	Q27277695	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	rel-N1-[(1R,2S)-2-Phenylcyclopropyl]-1,4-cyclohexanediamine hydrochloride (1:2)	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(((3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(((cis-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	9H-PURIN-6-AMINE, 9-(5-DEOXY-5-((CIS-3-(2-(6-(1,1-DIMETHYLETHYL)-1H-BENZIMIDAZOL-2-YL)ETHYL)CYCLOBUTYL)(1-METHYLETHYL)AMINO)-.BETA.-D-RIBOFURANOSYL)-	PC_57345410
C30H42N8O3	562.7	CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C	LXFOLMYKSYSZQS-XKHGBIBOSA-N	9H-PURIN-6-AMINE, 9-(5-DEOXY-5-((TRANS-3-(2-(6-(1,1-DIMETHYLETHYL)-1H-BENZIMIDAZOL-2-YL)ETHYL)CYCLOBUTYL)(1-METHYLETHYL)AMINO)-.BETA.-D-RIBOFURANOSYL)-	PC_57345410
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	VE-821	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	1232410-49-9	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	VE 821	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	VE821	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-Amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-2-pyrazinecarboxamide	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	CHEMBL1766779	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	BF884TQ935	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-AMINO-6-(4-METHANESULFONYLPHENYL)-N-PHENYLPYRAZINE-2-CARBOXAMIDE	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	2-Pyrazinecarboxamide, 3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenyl-	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenyl-2-pyrazinecarboxamide	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-Azanyl-6-(4-methylsulfonylphenyl)-N-phenyl-pyrazine-2-carboxamide	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	2-Pyrazinecarboxamide, 3-amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	ATR Inhibitor IV	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	MLS006011215	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	UNII-BF884TQ935	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	GTPL8042	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	SCHEMBL2483543	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	DTXSID60679574	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	EX-A530	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	CHEBI:124916	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	HMS3653B19	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	HMS3673C07	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	HMS3744G05	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	BCP02617	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	BDBM50341733	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	MFCD19443686	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	NSC761070	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	s8007	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	ZINC68244543	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	AKOS025212610	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	CCG-268268	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	CS-0238	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	NSC-761070	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	SB19277	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	NCGC00346444-01	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	NCGC00346444-07	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	AC-30933	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	AS-72494	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	BV168070	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	HY-14731	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	SMR004702977	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	VE-821, >=98% (HPLC)	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	FT-0700135	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	SW219507-1	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	J-690084	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	Q27089128	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-Amino-6-[4-(methlsulfonyl)phenyl)-N-phenyl-2-pyrazinecarboxamide	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-amino-6-(4-(methyl sulfonyl)phenyl)-n-phenyl-2-pyrazinecarboxamide	PC_51000408
C18H16N4O3S	368.4	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	DUIHHZKTCSNTGM-UHFFFAOYSA-N	3-Amino-6-[4-(methanesulfonyl)phenyl]-N-phenylpyrazine-2-carboxamide	PC_51000408
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	AST-1306	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	Allitinib	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	897383-62-9	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	AST1306	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	AST 1306	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)acrylamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	ALS 1306	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	CX0M5RO7CY	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	ALL-3	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	897383-62-9 (free base)	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	n-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-2-propenamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)acrylamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	AST-6	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	2-Propenamide, N-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-[4-[[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]quinazolin-6-yl]acrylamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-(4-{3-Chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)prop-2-enamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-Propenamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	UNII-CX0M5RO7CY	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	SCHEMBL233985	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	GTPL9912	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	CHEMBL1947204	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	CHEBI:91467	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	DTXSID30647124	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	EX-A047	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	GLXC-15035	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	BCP05802	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	XKB38362	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	ZINC52509434	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	AKOS025149073	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	BCP9000327	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	CS-0983	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	SB19364	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	NCGC00346478-02	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	NCGC00346478-05	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	AC-32040	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	HY-15375	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	DB-078476	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	FT-0768662	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	J-523015	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	Q27163306	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]prop-2-enamide	PC_24739943
C24H18ClFN4O2	448.9	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	MVZGYPSXNDCANY-UHFFFAOYSA-N	N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]-2-propenamide	PC_24739943
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	TW-37	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	877877-35-5	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-[4-(2-tert-Butylphenylsulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	tw 37	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	FQ8NY4LUO5	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-(4-((2-(tert-butyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	CHEMBL217354	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	MFCD17010275	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	5-(2-isopropylbenzyl)-N-(4-(2-tert-butylphenylsulfonyl)phenyl)-2,3,4-trihydroxybenzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-{4-[(2-tert-butylbenzene)sulfonyl]phenyl}-2,3,4-trihydroxy-5-[(2-isopropylphenyl)methyl]benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	Benzamide, N-(4-((2-(1,1-dimethylethyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-(1-methylethyl)phenyl)methyl)-	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-(4-((2-(1,1-Dimethylethyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-(1-methylethyl)phenyl)methyl)benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-(4-(2-tert-butylphenylsulfonyl)phenyl)-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-[4-[[2-(1,1-Dimethylethyl)phenyl]sulfonyl]phenyl]-2,3,4-trihydroxy-5-[[2-(1-methylethyl)phenyl]methyl]benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	UNII-FQ8NY4LUO5	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	MLS006010425	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	SCHEMBL687266	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	TW37	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	CHEBI:95008	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	DTXSID10466395	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	BCPP000030	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	HMS3651I03	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	TW 37;TW37	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	AMY20584	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	BCP27702	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	CKB87735	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	EX-A2173	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	BDBM50196032	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	s1121	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	ZINC29464717	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	AKOS015966872	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	CCG-264828	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	CS-0155	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	SB19398	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	NCGC00263208-01	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	NCGC00263208-05	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	AC-32081	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	BP-25408	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	CS-11194	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	HY-12020	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	SMR004701450	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	SY008562	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	FT-0761754	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	SW218144-2	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	EC-000.2360	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	A922660	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	J-523014	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	BRD-K28360340-001-01-8	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	Q27166769	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	(N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-(4-((2-Tert-Butylphenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-isopropylphenyl)methyl)benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-[(2-tert-butyl-benzenesulfonyl)-phenyl]-2,3,4-trihydroxy-5-(2-isopropyl-benzyl)-benzamide	PC_11455910
C33H35NO6S	573.7	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O	CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C	PQAPVTKIEGUPRN-UHFFFAOYSA-N	N-[4-[[2-(1,1-Dimethylethyl)phenyl] sulfonyl]phenyl]-2,3,4-trihydroxy-5-[[2-(1-methyle thyl)phenyl]methyl]benzamide	PC_11455910
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AZD4547	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	1035270-39-3	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AZD-4547	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AZD 4547	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	2167OG1EKJ	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	CHEBI:63453	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	rel-N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	KB-74810	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-{3-[2-(3,5-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-4-[(3r,5s)-3,5-Dimethylpiperazin-1-Yl]benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	UNII-2167OG1EKJ	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	66T	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	SCHEMBL63884	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	ABSK091	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-rel-3,5-dimethylpiperazin-1-yl)benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	ABSK-091	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	GTPL7707	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	SCHEMBL15250892	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	DTXSID80145887	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AZD 4547 [WHO-DD]	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AMY16612	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	EX-A1578	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	MFCD22580423	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NSC764239	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NSC765338	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NSC799346	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	s2801	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	ZINC95616598	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AKOS024464898	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	BCP9000364	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	CCG-269382	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	CS-0971	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	DB12247	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NSC-764239	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NSC-765338	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NSC-799346	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NCGC00346713-01	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	NCGC00346713-05	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AC-28442	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	AS-17054	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	HY-13330	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	SW219341-1	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	J-000994	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	J-524217	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	Q27074746	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	BENZAMIDE, N-(5-(2-(3,5-DIMETHOXYPHENYL)ETHYL)-1H-PYRAZOL-3-YL)-4-((3R,5S)-3,5-DIMETHYL-1-PIPERAZINYL)-, REL-	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide, rel-	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin -1-yl]benzamide	PC_51039095
C26H33N5O3	463.6	COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	VRQMAABPASPXMW-HDICACEKSA-N	N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide	PC_51039095
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	Ulixertinib	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	869886-67-9	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	VRT752271	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	BVD-523	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	Ulixertinib [INN]	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	Ulixertinib (BVD-523)	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	BVD-ERK	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	16ZDH50O1U	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	CHEMBL3590106	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	Ulixertinib (INN)	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	869886-67-9 (free base)	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	VRT-752271	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	Ulixertinib (BVD-523, VRT752271)	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	1H-Pyrrole-2-carboxamide, 4-(5-chloro-2-((1-methylethyl)amino)-4-pyridinyl)-N-((1S)-1-(3-chlorophenyl)-2-hydroxyethyl)-	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	(S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	(S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide.	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	UNII-16ZDH50O1U	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	Ulixertinib (BVD-523,VRT752271)	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-((S)-1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	BVD523 HCl	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	BVD-523 HCl	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	ULIXERTINIB [WHO-DD]	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	VRT752271 HCl	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	GTPL9210	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	SCHEMBL14211742	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	DTXSID601025683	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	BCP04232	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	EX-A1332	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	BDBM50094465	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	NSC797771	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	NSC800959	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	s7854	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	ZINC34642570	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	AKOS025396467	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	CCG-269049	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	DB13930	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	NSC-797771	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	NSC-800959	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	NCGC00378692-02	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	NCGC00378692-05	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	NCGC00378692-07	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	AC-33165	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	AS-56114	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	HY-15816	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	BCP0726000085	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	D11038	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	J-690368	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	Q27089081	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	3,5-Dichloro-2-hydroxy-N-(4-methoxy-3-biphenylyl)benzenesulfonamide	PC_11719003
C21H22Cl2N4O2	433.3	CC(C)Nc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)c(Cl)cn1	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	KSERXGMCDHOLSS-LJQANCHMSA-N	4-[5-Chloro-2-(isopropylamino)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide	PC_11719003
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	temozolomide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	85622-93-1	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Methazolastone	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temodar	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temodal	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Sch 52365	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CCRG-81045	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomidum [Latin]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolodida [Spanish]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomidum	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CCRG 81045	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NSC 362856	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Sch-52365	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	M&B 39831	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	M&B-39831	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NSC-362856	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CCRIS 8996	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	MB 39831	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	M & B 39831	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BRN 5547136	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	M-39831	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NSC362856	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CHEMBL810	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	MLS002701861	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	YF1K15M17Y	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CHEBI:72564	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Mk-7365	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TMZ	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NCGC00167429-01	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolodida	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	8-CARBAMOYL-3-METHYLIMIDAZO[5,1-D]-1,2,3,5-TETRAZIN-4(3H)-ONE	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	DSSTox_CID_23714	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	DSSTox_RID_80068	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	DSSTox_GSID_43714	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3,4-dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-Methyl-4-oxo-3,4-dihydroimidazo-[5,1-d][1,2,3,5]tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	SMR000466338	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temodal (TN)	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temodar (TN)	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CAS-85622-93-1	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide, VETRANAL(TM), analytical standard	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	SR-01000759347	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	temozolomida	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	UNII-YF1K15M17Y	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide (JAN/USAN/INN)	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide [USAN:INN:BAN]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-as-tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	IMIDAZO(5,1-D)-1,2,3,5-TETRAZINE-8-CARBOXAMIDE, 3,4-DIHYDRO-3-METHYL-4-OXO-	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	MFCD00866492	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide- Bio-X	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [MI]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [INN]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [JAN]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temodar (TN) (Schering)	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [USAN]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	SCHEMBL3739	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	4-methyl-5-oxo-2,3,4,6,8-pentazabicyclo[4.3.0]nona-2,7,9-triene-9-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [VANDF]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [MART.]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	MLS000759447	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	MLS001424028	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BIDD:GT0204	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [USP-RS]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [WHO-DD]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	GTPL7301	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [EMA EPAR]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	DTXSID5043714	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide, >=98% (HPLC)	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS2051O12	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS2090B08	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS2232N13	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3264I14	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3269P05	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3372K13	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3393O12	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3413D06	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3654N05	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3677D06	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HMS3713H16	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Pharmakon1600-01502289	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [ORANGE BOOK]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [EP MONOGRAPH]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	ALBB-021358	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BCP03692	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	ZINC1482184	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	TEMOZOLOMIDE [USP MONOGRAPH]	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Tox21_112433	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AC-758	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BDBM50034562	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	DL-190	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NSC759883	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	s1237	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	STK623541	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AKOS005557098	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Tox21_112433_1	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CCG-100870	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	CS-0943	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	DB00853	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	KS-1216	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NC00120	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NSC-759883	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Imidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NCGC00167429-02	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NCGC00167429-04	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NCGC00167429-05	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BP-25388	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BT164447	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	HY-17364	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	NCI60_003316	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BCP0726000154	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide 100 microg/mL in Acetonitrile	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AM20110227	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	FT-0630936	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	FT-0674845	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	SW197500-4	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	T2744	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	D06067	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	EN300-122324	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AB00639915-06	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AB00639915-08	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AB00639915-09	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AB00639915_10	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	AB00639915_11	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	622T931	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	A841386	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Q425088	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Q-201786	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	SR-01000759347-4	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	SR-01000759347-5	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	BRD-K32107296-001-04-5	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Z1201620684	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide, United States Pharmacopeia (USP) Reference Standard	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-Methyl-8-aminocarbonyl-imidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Imidazo[5,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	{Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,} 3, 4-dihydro-3-methyl-4-oxo-	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	Temozolomide, Pharmaceutical Secondary Standard; Certified Reference Material	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (Temozolomide)	PC_5394
C6H6N6O2	194.15	Cn1nnc2c(C(N)=O)ncn2c1=O	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide(Temozolomide)	PC_5394
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	parthenolide	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	(-)-Parthenolide	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	20554-84-1	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	(1S,2S,4R,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	CHEMBL540445	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	NSC-157035	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	LSM-4225	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	BDBM50433441	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	ZINC12362725	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	LMPR0103090002	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	SW220012-1	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PWNZVWSESA-N	Q27165422	PC_108068
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	parthenolide	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	(-)-Parthenolide	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	20554-84-1	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	Germacra-1(10),11(13)-dien-12-oic acid, 4,5-alpha-epoxy-6-beta-hydroxy-, gamma-lactone	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	(1S,2S,4R,7Z,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	2RDB26I5ZB	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	CHEMBL540445	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	UNII-2RDB26I5ZB	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	NSC 157035	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	parthenolide-(-)	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	Oxireno(9,10)cyclodeca(1,2-b)furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	CHEMBL477923	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	SCHEMBL12621120	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	CHEBI:93729	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	ZINC5125148	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	BDBM50194429	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	NCGC00179963-01	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	EN300-27736664	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	(1aR,4Z,7aS,10aS,10bS)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	(1aR,7aS,10aS,10bS,Z)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8-hexahydro-11-oxa-bicyclo[8.1.0]undeca-1(10),4-dieno[9,8-b]furan-9(1aH,10aH,10bH)-one	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	(1S,2S,4R,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	(Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-methylene-3,14-dioxa-tricyclo[9.3.0.0*2,4*]tetradec-7-en-13-one	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-QLIGOWBFSA-N	2351146-82-0	PC_5420805
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	parthenolide	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	(-)-Parthenolide	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	20554-84-1	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	(1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	NSC157035	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	NSC-157035	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	NCGC00016748-01	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	CAS-20554-84-1	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	SCHEMBL8219	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	DSSTox_CID_20579	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	DSSTox_RID_79507	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	DSSTox_GSID_40579	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	MEGxp0_000050	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	SCHEMBL5487404	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	DTXSID2040579	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	ACon1_001961	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	Parthenolide ((-)-Parthenolide)	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	CHEBI:181553	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	HMS3266B13	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	HMS3411K04	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	HMS3675K04	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	PTL	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	Tox21_110589	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	s2341	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	ZINC30726283	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	AKOS015969726	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	AKOS022168211	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	CCG-266943	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	DB13063	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	NCGC00024683-03	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	NCGC00024683-20	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	P1982	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	C07609	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	EN300-26868926	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	SR-01000597658	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	SR-01000597658-1	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	BRD-K98548675-001-04-2	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	Q63409339	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	4,5alpha-Epoxy-6beta-hydroxygermacra-1(10),11(13)-dien-12-oic Acid gamma-Lactone	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	(1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	(1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	[1aR-(1aR*,4E,7aS*,10aS*,-10bR*)]-2,3-6,7,7a,8,10a,10b-Octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	503551-53-9	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-SLXBATTESA-N	Germacra-1(10),11(13)-dien-12-oic acid, 4,5.alpha.-epoxy-6.beta.-hydroxy-, gamma.-lactone	PC_6473881
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	parthenolide	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	20554-84-1	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	(-)-Parthenolide	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	CHEBI:7939	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	CHEMBL465158	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	MFCD00134592	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	(1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	2RDB26I5ZB	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	29552-41-8	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	partenolide	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	NSC-157035	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	Prestwick2_000550	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	Prestwick3_000550	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	PARTHENOLIDE [MI]	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	Epitope ID:115014	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	PARTHENOLIDE [INCI]	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	SCHEMBL8220	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	BSPBio_000599	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	BSPBio_001308	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	MLS002153872	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	PARTHENOLIDE [USP-RS]	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	PARTHENOLIDE [WHO-DD]	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	BPBio1_000659	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	parthenolide-(alternate-stereo)	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	SCHEMBL13367522	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	BCBcMAP01_000041	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	Parthenolide, >=98% (HPLC)	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HMS1361B10	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HMS1569N21	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HMS1791B10	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HMS1989B10	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HMS2096N21	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HMS3402B10	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HMS3713N21	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	BCP10404	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	EX-A5460	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	HY-N0141	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	PTL	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	ZINC4492886	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	BDBM50552137	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	AKOS016010226	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	CCG-208244	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	CS-1919	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	IDI1_033778	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	NCGC00163415-01	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	NCGC00163415-04	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	AS-17479	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	SMR001233226	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	AB00513860	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	552P418	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	EN300-21037378	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	PARTHENOLIDE (CONSTITUENT OF FEVERFEW) [DSC]	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	Q-100253	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	(-)-Parthenolide; NSC-157035; NSC 157035; NSC157035	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	Parthenolide, United States Pharmacopeia (USP) Reference Standard	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	(1AR,4E,7AS,10AS,10BS)-2,3,6,7,7A,8,10A,10B-OCTAHYDRO-1A,5-DIMETHYL-8-METHYLENEOXIRENO(9,10)CYCLODECA(1,2-B)FURAN-9(1AH)-ONE	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	(1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	(3aS,10R,11R,11aS,6E)-3-Methylene-6,10-dimethyl-10,11-epoxy-1-oxa-2,3,3a,4,5,8,9,10,11,11a-decahydro-1H-cyclopentacyclodecene-2-one	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N	4,5.ALPHA.-EPOXY-6.BETA.-HYDROXY-GERMACRA-1(10),11(13)-DIEN-12-OIC ACID .GAMMA.-LACTONE	PC_7251185
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	(-)-Parthenolide	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	20554-84-1	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	(1S,2R,4R,11S)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	Prestwick0_000550	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	Prestwick1_000550	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	KBioGR_000028	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	KBioSS_000028	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	SPBio_002520	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	CHEMBL388727	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	KBio2_000028	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	KBio2_002596	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	KBio2_005164	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	KBio3_000055	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	KBio3_000056	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	Bio2_000028	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	Bio2_000508	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	HMS2236B09	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	LSM-4576	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	AKOS030228343	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-RMRHIDDWSA-N	Q27165744	PC_927704
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	parthenolide	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	29552-41-8	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	(-)-Parthenolide	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	(7Z)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	20554-84-1	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	NSC157035	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	CHEMBL3186408	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	CHEBI:95124	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	AKOS015840066	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	4xi-Germacra-1(10),11(13)-dien-12-oic acid, 4,5-epoxy-6alpha-hydroxy-, gamma-lactone	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	LS-14419	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	Q2662393	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	BRD-A11112921-001-01-1	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N	4,5-Epoxy-6alpha-hydroxy-4xi-germacra-1(10),11(13)-dien-12-oic acid gamma-lactone	PC_5353864
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	parthenolide	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	20554-84-1	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	(-)-Parthenolide	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)-	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	604004-27-5	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	(1S,2R,4R,7Z,11S)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SR-01000076057	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	MLS003389438	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	TNP00292	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NSC157035	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NSC-157035	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	Tocris-0610	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	Lopac0_000945	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	MLS006012002	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SCHEMBL16229962	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	CHEBI:93991	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	HMS3262N12	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	29552-41-8	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	Tox21_500945	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	ZINC12341708	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	AKOS025401820	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	CCG-205026	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	LP00945	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SDCCGSBI-0050919.P002	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00017350-01	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00024683-01	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00094250-01	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00094250-02	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00094250-03	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00094250-04	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00094250-05	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00094250-06	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00094250-09	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	NCGC00261630-01	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	AC-26214	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SMR004703551	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	4,11(13)-dien-12-oic acid gamma-lactone	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	EU-0100945	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	4,11(13)-dien-12-oic acid .gamma.-lactone	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	P 0667	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	EN300-19632190	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SR-01000076057-1	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SR-01000076057-6	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SR-01000076057-7	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	SR-01000076057-8	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	BRD-K29883696-001-04-2	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	BRD-K81651477-001-02-7	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	4,5-epoxy-6-hydroxy-4H-germacra-1(10)t,11(13)-dien-12-oic acid-lactone	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	(1S,2R,4R,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	(3aS,9aR,10aR,10bS,E)-6,9a-dimethyl-3-methylene-3a,4,5,8,9,9a,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-2(3H)-one	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4Z,7aS,10aS,10bR)-	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-,(1aR,4Z,7aS,10aS,10bR)-	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	Oxireno[9,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8, 10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)-	PC_5420804
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	parthenolide	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	(-)-Parthenolide	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	20554-84-1	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	29552-41-8	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	HMS3372G18	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	HMS3656G07	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCC[C@@]2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-CDKPOMLUSA-N	HMS3874I13	PC_73759808
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	parthenolide	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	(-)-Parthenolide	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	SCHEMBL9927466	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	CHEMBL1601875	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	Oxireno(9,10)cyclodeca(1,2-b)furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	NSC203821	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	NSC-203821	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	NCGC00095282-01	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	NCGC00095282-02	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	(7E)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1ah)-one #	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	2513-77-1	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10),11(13)-dien-12-oic acid .gamma.-lactone	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	C/C/1=C\CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-WEVVVXLNSA-N	Germacra-1(10),11(13)-dien-12-oic acid, 4,5-.alpha.-epoxy-6-.beta.-hydroxy-, .gamma.-lactone	PC_5320420
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCCC2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-KIFYNCCSSA-N	(-)-Parthenolide	PC_131673949
C15H20O3	248.32	C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21	CC1=CCCC2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-KIFYNCCSSA-N	20554-84-1	PC_131673949
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	carmustine	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	154-93-8	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	1,3-Bis(2-chloroethyl)-1-nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BCNU	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Gliadel	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmubris	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustin	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Nitrumon	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BiCNU	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Becenun	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bischloroethyl nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bi CNU	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustinum	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	1,3-Bis(2-chloroethyl)nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bischlorethylnitrosurea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bischlorethylnitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustina	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Urea, N,N'-bis(2-chloroethyl)-N-nitroso-	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NSC-409962	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bis(2-chloroethyl)nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	FDA 0345	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SRI 1720	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BiCNU (TN)	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DTI 015	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCI-C04773	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SK 27702	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustine (98%)	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bis(chloroethyl)nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NSC 409962	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	bis-chloroethylnitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NSC409962	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CHEMBL513	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	1,3-bis(2-chloroethyl)-1-nitroso-urea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CHEBI:3423	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Urea, 1,3-bis(2-chloroethyl)-1-nitroso-	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Becenum	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DTI-015	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	U68WG3173Y	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	FDA-0345	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SRI-1720	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	1,3-bis(2-chloroethyl)-3-nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-05	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SK-27702	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	1,3-Bis(.beta.-chloroethyl)-1-nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Gliadel Wafer	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bischloroethylnitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DSSTox_CID_2743	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DSSTox_RID_76712	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustinum [INN-Latin]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DSSTox_GSID_22743	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustina [INN-Spanish]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bis(2-chloroethyl)1-nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bis-N,N'-(chloroethyl)nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CAS-154-93-8	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CCRIS 810	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	1,3-Bis(beta-chloroethyl)-1-nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BCNU [Chloroethyl nitrosoureas]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SR-01000075736	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	EINECS 205-838-2	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BRN 2049744	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Camustine	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carustine	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	UNII-U68WG3173Y	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	AI3-52216	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	HSDB 7761	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BiCNU; Nitrumon	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustine [USAN:USP:INN:BAN]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustine- Bio-X	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Prestwick_997	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Gliadel (TN)	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Bischloroethyl nitrosourea [Chloroethyl nitrosoureas]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	MFCD00057706	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Gliadel (MGI Pharm)	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Spectrum_000265	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustine, >=98%	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [MI]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [INN]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [JAN]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Spectrum4_000888	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Spectrum5_000920	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CAMUSTINE [VANDF]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [HSDB]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [USAN]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Lopac-C-0400	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	WLN: ONN2GVM2G	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	C 0400	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [MART.]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SCHEMBL4503	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [USP-RS]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [WHO-DD]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Lopac0_000188	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustine (JAN/USP/INN)	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	KBioGR_001296	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	KBioSS_000745	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	MLS001333962	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DivK1c_000835	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	AMY382	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	GTPL6800	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [EP IMPURITY]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [ORANGE BOOK]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DTXSID8022743	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	HMS502J17	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	KBio1_000835	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	KBio2_000745	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	KBio2_003313	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	KBio2_005881	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [EP MONOGRAPH]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NINDS_000835	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CARMUSTINE [USP MONOGRAPH]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	HMS2092J22	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	HMS2230I05	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	HMS3260F17	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	HMS3369D17	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Pharmakon1600-01503110	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BCP27690	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	ZINC3830387	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Tox21_110097	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Tox21_500188	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BDBM50015950	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	CCG-39925	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NSC758392	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	STK624770	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	AKOS005558013	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Tox21_110097_1	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BCP9000490	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	DB00262	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	LP00188	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NSC-758392	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SDCCGSBI-0050176.P004	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	IDI1_000835	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Urea,3-bis(2-chloroethyl)-1-nitroso-	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BISCHLOROETHYL NITROSOUREA [IARC]	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-01	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-02	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-03	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-04	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-06	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-07	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-08	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-09	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00015204-18	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00093665-01	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00093665-02	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00093665-03	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00093665-04	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCGC00260873-01	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Urea,N'-bis(2-chloroethyl)-N-nitroso-	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	AC-24196	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	AS-12106	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BC164289	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	HY-13585	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	N,N''-Bis(2-chloroethyl)-N-nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	NCI60_003931	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SMR000058426	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SBI-0050176.P003	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	EU-0100188	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	FT-0602937	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	S3669	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	BCNU; 1,3-Bis(2-chloroethyl)-1-nitrosourea	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	C06873	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	D00254	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	EN300-123541	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	AB00052431-07	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	AB00052431_08	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	154C938	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	A809590	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Q415869	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SR-01000075736-1	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	SR-01000075736-3	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	W-108025	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Z1269141329	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	Carmustine, United States Pharmacopeia (USP) Reference Standard	PC_2578
C5H9Cl2N3O2	214.05	O=NN(CCCl)C(=O)NCCCl	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N	1-(2-Chloroethyl)-1-([(2-chloroethyl)amino]carbonyl)-2-oxohydrazine #	PC_2578
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	GSK1070916	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	942918-07-2	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	GSK-1070916	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	GSK-1070916A	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	GSK 1070916	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	8VLB51V7HO	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	N'-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-yl]phenyl]-N,N-dimethylurea	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	CHEMBL1090479	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	GSK 1070916A	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea.	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	UNII-8VLB51V7HO	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	3-(4-(4-(2-(3-((DIMETHYLAMINO)METHYL)PHENYL)-1H-PYRROLO(2,3-B)PYRIDIN-4-YL)-1-ETHYL-1H-PYRAZOL-3-YL)PHENYL)-1,1-DIMETHYLUREA	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	compound 17k [PMID 20420387]	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	GTPL8358	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	SCHEMBL4305006	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	CHEBI:91362	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	DTXSID70241403	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	EX-A021	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	HMS3265K13	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	HMS3265K14	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	HMS3265L13	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	HMS3265L14	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	HMS3750K05	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	ACT06827	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	BCP02610	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	BDBM50315769	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	MFCD22420815	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	NSC777445	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	NSC800108	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	s2740	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	ZINC43170519	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	AKOS005145558	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	BCP9000733	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	CCG-269759	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	CS-0008	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	NSC-777445	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	NSC-800108	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	SB14574	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	NCGC00346648-01	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	NCGC00346648-07	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	NCGC00346648-10	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	AC-32837	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	AS-17024	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	HY-70044	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	DB-079843	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	FT-0703862	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	F17366	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	J-523344	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	BRD-K36740062-001-01-7	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	Q27077863	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[3-(dimethylaminomethyl)phenyl]-1H-pyrrolo[2,3-b]-pyridine	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	N''-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-y	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl) 1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea	PC_46885626
C30H33N7O	507.6	CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	UREA, N'-(4-(4-(2-(3-((DIMETHYLAMINO)METHYL)PHENYL)-1H-PYRROLO(2,3-B)PYRIDIN-4-YL)-1-ETHYL-1H-PYRAZOL-3-YL)PHENYL)-N,N-DIMETHYL-	PC_46885626
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	1211441-98-3	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	LEE011	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	LEE-011	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib (LEE011)	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Kisqali	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	LEE 011	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	LEE011A	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	UNII-TK8ERE8P56	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	TK8ERE8P56	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	LEE-011A	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo [2,3-d]pyrimidine-6-carboxylic acid dimethylamide	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7-Cyclopentyl-N,N-dimethyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7-Cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib [INN]	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib(LEE011)	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib, LEE011	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib [USAN:INN]	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib-[d6]	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	RIBOCICLIB [MI]	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Ribociclib (USAN/INN)	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	RIBOCICLIB [USAN]	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NVP-LEE011	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	RIBOCICLIB [WHO-DD]	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	SCHEMBL302310	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	GTPL7383	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	CHEMBL3545110	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	EX-A304	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	BDBM148264	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	DTXSID201021027	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	HMS3653N03	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	HMS3673I19	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	HMS3748M05	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	example 74 [US8962630]	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	AMY16792	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	BCP08804	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	MFCD27976795	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NSC778909	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NSC794613	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NSC800867	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	s7440	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	ZINC72316335	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	AKOS025404915	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	AKOS032949987	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	CCG-269070	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	CS-1750	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	DB11730	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NSC-778909	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NSC-794613	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NSC-800867	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	SB18480	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NCGC00386317-10	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	NCGC00386317-11	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	AC-30029	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	AS-10159	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	DA-35904	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	HY-15777	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	LEE-011; LEE 011;LEE011	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	FT-0700117	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	SW220101-1	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	D10883	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	EN300-7409093	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	US8962630, 74	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	A858033	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	J-690066	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	Q27088552	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	6-(1H-Indazol-6-yl)-N-[4-(4-morpholinyl)phenyl]-Imidazo[1,2-a]pyrazin-8-amine	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	6ZZ	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide	PC_44631912
C23H30N8O	434.5	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N	7H-PYRROLO(2,3-D)PYRIMIDINE-6-CARBOXAMIDE, 7-CYCLOPENTYL-N,N-DIMETHYL-2-((5-(1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-	PC_44631912
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	Filanesib	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	ARRY-520	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	885060-09-3	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	Filanesib [INN]	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	ARRY 520	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	(2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamide	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	Arry520	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	CHEMBL2347655	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	8A49OSO368	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	885060-09-3 (free base)	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	1,3,4-Thiadiazole-3(2H)-carboxamide, 2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-, (2S)-	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	(S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamide.	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	Filanesib [USAN:INN]	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	UNII-8A49OSO368	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	Filanesib (USAN/INN)	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	FILANESIB [USAN]	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	ARRY-520; Filanesib	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	Filanesib(ARRY-520)	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	FILANESIB [WHO-DD]	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	SCHEMBL368043	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	DTXSID50237086	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	EX-A678	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	HMS3750A15	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	BCP07442	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	BDBM50431893	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	MFCD18633235	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	ZINC43204022	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	CS-0867	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	DB06040	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	SB19209	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	NCGC00381751-02	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	NCGC00381751-04	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	AC-35274	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	HY-15187	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	D11754	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	J-519598	PC_44224257
C20H22F2N4O2S	420.5	CON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1	CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-FQEVSTJZSA-N	Q15634095	PC_44224257
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Camptothecine	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	7689-03-4	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-(+)-Camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Campathecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(+)-Camptothecine	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	d-Camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(+)-Camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	20(S)-Camptothecine	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	21,22-Secocamptothecin-21-oic acid lactone	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NSC94600	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Camptothecine (S,+)	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CHEMBL65	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NSC-94600	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-ethyl-4-hydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	MLS000766223	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	XT3Z54Z28A	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CHEBI:27656	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	MFCD00081076	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NSC 100880	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	251316-95-7	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-Camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	20(S)-Camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SR-01000075798	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SR-01000597379	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	d-camptothecine	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(s)-camptothecine	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Camptothecin,(S)	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	( )-Camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(4S)-4-ETHYL-4-HYDROXY-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-ethyl-4-hydroxy-1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-Ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Prestwick_102	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(+)-Camptothecin;	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Camptothecine (8CI)	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Spectrum_000299	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Tocris-1100	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SpecPlus_000712	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Prestwick0_000200	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Prestwick1_000200	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Prestwick2_000200	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Prestwick3_000200	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Spectrum2_000903	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Spectrum3_001203	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Spectrum4_000738	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Spectrum5_001126	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CAMPTOTHECIN [MI]	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Lopac-C-9911	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SCHEMBL6038	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	UNII-XT3Z54Z28A	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Lopac0_000341	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BSPBio_000159	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BSPBio_002586	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBioGR_001036	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBioSS_000779	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBioSS_002283	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	cid_24360	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CAMPTOTHECIN [WHO-DD]	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	DivK1c_000826	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	DivK1c_006808	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SPECTRUM1502232	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SPBio_000746	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SPBio_002080	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BPBio1_000175	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CCRIS 8162	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	DTXSID0030956	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS502J08	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBio1_000826	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBio1_001752	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBio2_000779	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBio2_003347	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBio2_005915	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KBio3_002086	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NINDS_000826	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Bio1_000400	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Bio1_000889	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Bio1_001378	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS1568H21	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS1921N08	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS2089F08	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS2095H21	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS3261E03	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS3414J17	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS3654D13	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS3678J15	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HMS3712H21	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	ZINC105309	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	ACT02668	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BCP02857	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Tox21_500341	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	AC-202	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BBL033963	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BDBM50008923	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CCG-40255	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	GR-301	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NSC 94600	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	s1288	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	STK801886	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	AKOS004119861	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CS-1049	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	DB04690	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	KS-5235	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	LP00341	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SDCCGMLS-0066688.P001	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SDCCGSBI-0050329.P003	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BRN 0631069	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	CAS-2114454	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	IDI1_000826	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00015290-01	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-01	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-02	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-03	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-04	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-05	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-06	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-07	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-08	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-09	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-10	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-11	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-12	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-16	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00016994-29	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00024997-01	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00024997-02	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00024997-03	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00024997-04	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00024997-05	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00024997-06	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00178592-01	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00178592-02	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCGC00261026-01	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	HY-16560	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	NCI60_042105	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SMR000445686	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SY010324	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	AI3-62475	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	EU-0100341	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SW196414-3	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	C 9911	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	C01897	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	M01564	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	AB00052452-08	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	AB00052452-09	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	AB00052452_10	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	EN300-1725804	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-(+)-Camptothecin, >=90% (HPLC), powder	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	689C034	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	A838882	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Q419964	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Q-200785	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SR-01000075798-1	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SR-01000075798-4	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SR-01000597379-1	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	SR-01000597379-3	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BRD-K37890730-001-09-4	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	BRD-K37890730-001-10-2	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	Z1741982070	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4-Ethyl-4-hydroxy-1H-pyrano-[3[,4[:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;(S)-(+)-Camptothecin	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(S)-4-Ethyl-4-hydroxy-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4(S)-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H)-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT)	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin)	PC_24360
C20H16N2O4	348.4	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin)	PC_24360
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Uprosertib	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	1047634-65-0	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	GSK2141795	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	GSK2141795C	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	GSK795	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	GSK-2141795	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	ZXM835LQ5E	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Akt inhibitor gsk2141795	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Akt inhibitor gsk-2141795	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Uprosertib (GSK2141795)	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	GSK-2141795C	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	N-((S)-1-Amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	2-Furancarboxamide, N-((1S)-2-amino-1-((3,4-difluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)furan-2-carboxamide	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Uprosertib [USAN:INN]	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	UNII-ZXM835LQ5E	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	N-((1S)-1-(Aminomethyl)-2-(3,4-difluorophenyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	N-[(1S)-1-(Aminomethyl)-2-(3,4-difluorophenyl)ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Uprosertib [USAN]	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	UPROSERTIB [INN]	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Uprosertib (USAN/INN)	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	UPROSERTIB [WHO-DD]	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	SCHEMBL168584	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Uprosertib, GSK2141795	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	GTPL7902	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	CHEMBL3137336	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	BCP28204	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	EX-A1593	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	BDBM50170284	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	MFCD28144686	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	NSC778368	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	NSC800960	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	s7492	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	ZINC43197676	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	AKOS027323909	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	CCG-268992	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	DB11969	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	NSC-778368	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	NSC-800960	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	NCGC00390653-01	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	AC-30940	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	HY-15965	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	D10674	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	F20800	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	Q27089099	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	GSK-2141795; GSK2141795; GSK 2141795; GSK795; GSK-795; GSK 795.	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	(S)-N-(1-Amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide	PC_51042438
C18H16Cl2F2N4O2	429.2	Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	AXTAPYRUEKNRBA-JTQLQIEISA-N	N-{(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-furancarboxamide	PC_51042438
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SB-505124	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	694433-59-5	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SB505124	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridine	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SB 505124	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	TGF-beta RI Inhibitor III	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	CHEMBL226838	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-(4-(benzo[d][1,3]dioxol-5-yl)-2-(tert-butyl)-1H-imidazol-5-yl)-6-methylpyridine	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-(5-benzo[1,3]dioxol-5-yl-2-tert-butyl-3h-imidazol-4-yl)-6-methylpyridine	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-(5-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-4-yl)-6-methylpyridine	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	MLS006010969	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SCHEMBL373422	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	GTPL6049	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	DTXSID50431926	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	EX-A217	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	CHEBI:100922	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	BCPP000071	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	HMS3655F08	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SB-505124 hydrochloride hydrate	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	BCP22718	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	BDBM50298220	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	MFCD20926329	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	s2186	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	ZINC16052825	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	AKOS024457513	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	CCG-267861	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	CS-1582	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SB19487	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	NCGC00165889-01	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	NCGC00165889-02	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	AC-27412	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	AS-74679	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	HY-13521	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SMR004702773	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	BCP0726000127	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	B6056	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	SW219461-1	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	A866835	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	Q27088976	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-[4-(1,3-benzodioxol-5-yl)-2-(1,1-dimethylethyl)-1H-imidazol-5-yl]-6-methyl-pyridin	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-[4-(1,3-Benzodioxol-5-yl)-2-(1,1-dimethylethyl)-1H-imidazol-5-yl]-6-methyl-pyridine	PC_9858940
C20H21N3O2	335.4	Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1	CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4	WGZOTBUYUFBEPZ-UHFFFAOYSA-N	2-(5-Benzo[1,3]dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine  hydrate  hydrochloride	PC_9858940
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	CUDC-101	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	1012054-59-9	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	CUDC 101	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	CUDC101	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	CHEMBL598797	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	1A7Y9MP123	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	7-((4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	7-((4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	UNII-1A7Y9MP123	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	CUDC-101, Free Base	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	SCHEMBL93769	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	MLS006010163	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	GTPL8894	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	CUDC 101 [WHO-DD]	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	DTXSID00143784	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	EX-A842	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	HMS3654C20	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	BCP01935	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	BDBM50307768	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	MFCD15528940	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	NSC800081	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	s1194	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	ZINC43196377	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	AKOS022526176	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	BCP9000556	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	CCG-264856	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	compound 8 [PMID: 20143778]	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	DB12174	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	NSC-800081	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	SB19287	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	NCGC00263177-01	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	NCGC00263177-05	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	NCGC00263177-12	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	1313875-12-5	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	AC-28428	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	AS-16955	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	HY-10223	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	SMR004701272	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	FT-0665231	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	SW219934-1	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	J-000340	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	J-519062	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	Q27076925	PC_24756910
C24H26N4O4	434.5	C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	PLIVFNIUGLLCEK-UHFFFAOYSA-N	Heptanamide, 7-[[4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-N-hydroxy-	PC_24756910
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	504433-23-2	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	GW 441756	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	GW-441756	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	GW441756	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	504433-24-3	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	(Z)-3-((1-methyl-1H-indol-3-yl)methylene)-1H-pyrrolo[3,2-b]pyridin-2(3H)-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	CHEMBL176544	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	GW441756 hydrochloride	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	SCHEMBL5787769	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	(3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	CHEBI:92072	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	DTXSID001127130	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	HMS3303P17	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	HMS3305D02	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	HMS3884D22	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	EX-A1842	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	ZINC3988917	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	BDBM50142026	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	MFCD08703104	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	NSC756236	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	s2891	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	AKOS022488649	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	BCP9000748	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	CCG-267200	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	CS-1409	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	NSC-756236	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	NCGC00161398-07	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	AC-32805	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	AS-16205	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	HY-18314	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	G-190	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	EC-000.2406	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	AB01092198-01	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	J-502592	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	BRD-K04146668-001-01-3	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	(3Z)-1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	(3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one.	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	3-((1-Methyl-1H-indol-3-yl)methylene)-1,3-dihydro-2H-pyrrolo[3,2-b]pyridin-2-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	3-((1-Methyl-1H-indol-3-yl)methylene)-1H-pyrrolo[3,2-b]pyridin-2(3H)-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	3-(1-Methyl-1H-indol-3-ylmethylene)-1,3-dihydro-pyrrolo[3,2-b]pyridin-2-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	3-[(Z)-(1-Methyl-1H-indole-3-yl)methylene]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-2-one	PC_9943465
C17H13N3O	275.3	Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N	3-[1-(1-Methyl-1H-indol-3-yl)-meth-(Z)-ylidene]-1,3-dihydro-pyrrolo[3,2-b]pyridin-2-one	PC_9943465
C17H14ClN3O	311.8	Cl.Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O.Cl	GXUJPQDCLCDKLU-CHHCPSLASA-N	GW 441756	PC_73755109
C17H14ClN3O	311.8	Cl.Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O.Cl	GXUJPQDCLCDKLU-CHHCPSLASA-N	GW-441756	PC_73755109
C17H14ClN3O	311.8	Cl.Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O.Cl	GXUJPQDCLCDKLU-CHHCPSLASA-N	GTPL4946	PC_73755109
C17H14ClN3O	311.8	Cl.Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O.Cl	GXUJPQDCLCDKLU-CHHCPSLASA-N	Q27077946	PC_73755109
C17H14ClN3O	311.8	Cl.Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21	CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O.Cl	GXUJPQDCLCDKLU-CHHCPSLASA-N	(3Z)-3-[(1-methyl-1H-indol-3-yl)methylidene]-1H,2H,3H-pyrrolo[3,2-b]pyridin-2-one hydrochloride	PC_73755109
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Luminespib	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	747412-49-3	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NVP-AUY922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AUY922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	VER-52296	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AUY-922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Luminespib (NVP-AUY922)	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AUY922 (NVP-AUY922)	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Luminespib (AUY-922 )	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	VER 52296	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NVP-AUY 922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	C6V1DAR5EB	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NVP-AUY922-NX	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Luminespib (AUY-922, NVP-AUY922)	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NVP-AUY-922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-[2,4-DIHYDROXY-5-ISOPROPYLPHENYL]-N-ETHYL-4-[4-(4-MORPHOLINYLMETHYL)PHENYL]-3-ISOXAZOLECARBOXAMIDE	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	CHEMBL3900791	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	CHEBI:83656	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-[2,4-Dihydroxy-5-(1-Methylethyl)phenyl]-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Luminespib [USAN:INN]	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	UNII-C6V1DAR5EB	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NVR-AUY 922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Isoxazole, 40f	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	2GJ	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	VER-52296/NVP-AUY922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	LUMINESPIB [INN]	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Luminespib (USAN/INN)	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	LUMINESPIB [USAN]	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Luminespib; NVP-AUY922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	LUMINESPIB [WHO-DD]	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	MLS006011081	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	SCHEMBL892205	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	CHEMBL252164	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	GTPL9261	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	SCHEMBL2682235	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AUY922,NVP-AUY922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	LUMINESPIB(NVP-AUY922)	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	BDBM20926	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	CHEBI:91422	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	EX-A611	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	BCPP000145	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	DTXSID001336117	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	HMS3295K23	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	HMS3654C15	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AUY922 - NVP-AUY922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	BCP01827	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	BDBM50274536	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	MFCD14635361	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NSC755762	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	s1069	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	ZINC14974931	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AKOS015966502	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AKOS026750297	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	ZINC100015656	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	ZINC109565971	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	BCP9001007	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	CCG-264804	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	CS-0136	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NSC-755762	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	SB16640	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NCGC00247878-01	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	NCGC00387853-03	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AC-33144	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AS-17014	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	HY-10215	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	SMR004702869	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	A9562	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	FT-0700359	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	SW219319-1	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	CAS:747412-49-3;NVP-AUY922	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	D10646	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	412D493	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	J-516600	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	BRD-K41859756-001-01-9	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Q10859697	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Q27082304	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	Q27163272	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	AUY922; VER-52296; AUY 922; VER 52296; AUY-922; VER-52296	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-(2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL)-N-ETHYL-4-(4-((MORPHOLIN-4-YL)METHYL)PHENYL(-1,2-OXAZOLE-3-CARBOXAMIDE	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide	PC_135539077
C26H31N3O5	465.5	CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	NDAZATDQFDPQBD-UHFFFAOYSA-N	N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-yl-1-cyclohexa-2,4-dienylidene)-4-[4-(4-morpholinylmethyl)phenyl]-2H-isoxazole-3-carboxamide	PC_135539077
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Buparlisib	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	944396-07-0	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NVP-BKM120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-(2,6-dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NVP-BKM-120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM-120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	1202777-78-3	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM 120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Buparlisib (BKM120)	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM120 (NVP-BKM120, Buparlisib)	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NVP-BKM 120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM-120NX	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM120-NX	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-[2,6-Di(Morpholin-4-Yl)pyrimidin-4-Yl]-4-(Trifluoromethyl)pyridin-2-Amine	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	0ZM2Z182GD	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	CHEMBL2017974	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	CHEBI:71954	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	944396-07-0 (free base)	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-[2,6-Di(4-morpholinyl)-4-pyrimidinyl]-4-(trifluoromethyl)-2-pyridinamine.	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Buparlisib [INN]	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Buparlisib [USAN:INN]	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	UNII-0ZM2Z182GD	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM 120NX	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-[2,6-Di(4-morpholinyl)-4-pyrimidinyl]-4-(trifluoromethyl)-2-pyridinamine	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	SD5	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Buparlisib; BKM120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	3sd5	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Buparlisib (USAN/INN)	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BUPARLISIB [USAN]	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BUPARLISIB [WHO-DD]	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	MLS006010984	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	SCHEMBL146956	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	GTPL7878	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM120,NVP-BKM120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM-120 (PI3K)	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	DTXSID50241486	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	EX-A189	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	HMS3295I15	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	HMS3655D16	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM120 (NVP-BKM120)	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BKM120 - NVP-BKM120	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BDBM50380363	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	MFCD18251596	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NSC754353	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NSC799370	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	s2247	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	ZINC43154039	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	2-Pyridinamine, 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	2-Pyridinamine,5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-2-Pyridinamine	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	AKOS016005372	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	AM85983	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BCP9001011	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	CCG-264954	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	CS-0089	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	DB11666	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NSC-754353	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NSC-799370	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	SB16577	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NCGC00262604-01	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	NCGC00262604-08	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	AC-32077	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	AC-35575	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	AS-40568	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	HY-70063	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	SMR004702786	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	DB-079882	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	FT-0755923	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	SW218149-2	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	A25436	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	D10584	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	A892274	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	J-516601	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	BRD-K42191735-001-01-2	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Q25100534	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	4-(trifluoromethyl)-5-(2,6-dimorpholinopyrimidin-4-yl)pyridin-2-amine	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine	PC_16654980
C18H21F3N6O2	410.4	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	CWHUFRVAEUJCEF-UHFFFAOYSA-N	5-(2,6-di-morpholin-4-yl-pyrimidin-4-yl)-4-trifluoromethyl-pyridin-2-ylamine	PC_16654980
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	AZ20	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	1233339-22-4	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	AZ 20	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	(R)-4-(2-(1H-indol-4-yl)-6-(1-(methylsulfonyl)cyclopropyl)pyrimidin-4-yl)-3-methylmorpholine	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	CHEMBL2325697	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	4-[4-(1-methanesulfonylcyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	AZ-20	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	VCD	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	compound 6 [PMID: 46244454]	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	GTPL8477	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	SCHEMBL2511931	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	CHEBI:124915	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	DTXSID201025598	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	EX-A1801	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	BDBM50427326	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	MFCD25976730	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	s7050	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	ZINC68244750	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	AKOS024458534	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	CCG-268793	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	CS-1483	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	AZ20, >=98% (HPLC)	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	NCGC00386311-06	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	AC-32952	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	AS-16518	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	HY-15557	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	SW219703-1	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	Q27074665	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	1H-Indole, 4-[4-[(3R)-3-methyl-4-morpholinyl]-6-[1-(methylsulfonyl)cyclopropyl]-2-pyrimidinyl]-	PC_46244454
C21H24N4O3S	412.5	CC1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4	SCGCBAAYLFTIJU-CQSZACIVSA-N	4-[4-[(3R)-3-Methyl-4-morpholinyl]-6-[1-(methylsulfonyl)cyclopropyl]-2-pyrimidinyl]-1H-indole	PC_46244454
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	osimertinib	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	1421373-65-0	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AZD-9291	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	Mereletinib	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AZD9291	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AZD 9291	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	Osimertinib [USAN]	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	UNII-3C06JJ0Z2O	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-(2-{[2-(Dimethylamino)ethyl](Methyl)amino}-4-Methoxy-5-{[4-(1-Methyl-1h-Indol-3-Yl)pyrimidin-2-Yl]amino}phenyl)prop-2-Enamide	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	3C06JJ0Z2O	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AZD-9291 FREE BASE	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)acrylamide	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	2-Propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-[2-[[2-(Dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-2-propenamide	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	Mereletinib [INN]	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	osimertinibum	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	OSIMERTINIB [MI]	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	OSIMERTINIB [INN]	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	Osimertinib (AZD9291)	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	Osimertinib; AZD 9291	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	Osimertinib; AZD-9291	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	mereletinib (obsolete INN)	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	OSIMERTINIB [WHO-DD]	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	GTPL7719	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	CHEMBL3353410	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	SCHEMBL14660911	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	CHEBI:90943	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AMY9161	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	EX-A314	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	MereletinibAZD-9291,Osimertinib	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	DTXSID501025961	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	HMS3653E10	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	HMS3672M05	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	BCP08626	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	BDBM50029668	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	MFCD27988062	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NSC779217	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NSC781254	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NSC800812	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	s7297	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	ZINC98023177	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AKOS025290756	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	CCG-264683	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	CS-2018	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	DB09330	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NSC-779217	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NSC-781254	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NSC-800812	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	SB22952	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NCGC00378622-03	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NCGC00378622-04	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	NCGC00378622-10	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AC-29019	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	AS-16943	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	HY-15772	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	4714B	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	SW219863-1	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	EN300-7382438	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	A854509	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	Q21506464	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N(2{[2(diMethylaMino)ethyl](Methyl)aMino}4Methoxy5{[4(1Methyl1Hindol3yl)pyriMidin2yl]aMino}phenyl)prop2enaMide;Osimertinib	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide	PC_71496458
C28H33N7O2	499.6	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N	N-(2-{2-Dimethylaminoethyl-methylamino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide	PC_71496458
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	birabresib	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	202590-98-5	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX015	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX-015	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX 015	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	MK-8628	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX-015 anhydrous	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	Birabresib [USAN]	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	Y-803 anhydrous	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX015 ANHYDROUS	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	X40LKS49S3	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX015  pound MK 8628/Birabresib pound(c)	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	(S)-2-(4-(4-Chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]-triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetaMide	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide.	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	UNII-X40LKS49S3	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	MK-8628;Birabresib	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX015 (Birabresib)	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	BIRABRESIB [INN]	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	Birabresib (USAN/INN)	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	BIRABRESIB [WHO-DD]	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	GTPL8359	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	SCHEMBL2898131	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	CHEMBL3581647	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	EX-A640	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	CHEBI:191051	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	DTXSID701103937	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	ZINC3960759	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	BDBM50092312	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	MFCD26960949	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	NSC778747	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	s7360	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	AKOS027323345	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	CCG-264724	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	CS-1598	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	DB15189	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	GS-9310	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	NSC-778747	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	NCGC00356067-01	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	NCGC00356067-12	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	(6S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	(S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	AC-35281	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	BP-25368	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	HY-15743	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	OTX015, >=98% (HPLC)	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	O0482	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	D10911	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	J-690257	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	Q27075296	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	(S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide, AldrichCPR	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	(S)-N-(4-hydroxyphenyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	2-((6S)-4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-6H-THIENO(3,2- F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-6-YL)- N-(4-HYDROXYPHENYL)ACETAMIDE	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f]-[1, 2, 4] triazolo [4,3-a] [1, 4] diazepin-6-yl]-N-(4-hydroxyphenyl)-acetamide dehydrate	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	2-[(9S)-7-(4-CHLOROPHENYL)-4,5,13-TRIMETHYL-3-THIA-1,8,11,12-TETRAAZATRICYCLO[8.3.0.0(2),?]TRIDECA-2(6),4,7,10,12-PENTAEN-9-YL]-N-(4-HYDROXYPHENYL)ACETAMIDE	PC_9936746
C25H22ClN5O2S	492.0	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N	6JE	PC_9936746
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	Taselisib	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	GDC-0032	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	1282512-48-4	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	GDC 0032	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	Taselisib [INN]	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	GDC0032	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	Taselisib (GDC0032)	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	RG-7604	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	RG7604	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	CHEMBL2387080	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	L08J2O299M	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	RG 7604	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	2-Methyl-2-(4-{2-[3-Methyl-1-(Propan-2-Yl)-1h-1,2,4-Triazol-5-Yl]-5,6-Dihydroimidazo[1,2-D][1,4]benzoxazepin-9-Yl}-1h-Pyrazol-1-Yl)propanamide	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	Taselisib [USAN:INN]	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	UNII-L08J2O299M	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	2-(4-(2-(1-ISOPROPYL-3-METHYL-1H-1,2,4-TRIAZOL-5-YL)-5,6-DIHYDROBENZO(F)IMIDAZO(1,2-D)(1,4)OXAZEPIN-9-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPANAMIDE	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	TaselisibGDC-0032	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	Taselisib (USAN/INN)	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	TASELISIB [USAN]	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	TASELISIB [WHO-DD]	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	Taselisib (GDC-0032)	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	GTPL7794	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	SCHEMBL1485247	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	DTXSID00155842	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	HMS3674G19	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	AMY39941	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	BCP09253	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	EX-A1581	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	BDBM50434806	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	MFCD26142641	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	NSC777425	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	NSC800985	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	s7103	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	ZINC68267049	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	AKOS026750303	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	CCG-269338	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	CS-1817	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	DB12108	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	GDC-0032, Taselisib; RG-7604	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	NSC-777425	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	NSC-800985	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	SB16576	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	NCGC00387039-02	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	AC-32794	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	AS-10662	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	BG166285	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	HY-13898	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	D11774	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	J-690119	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	Q27088940	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	1395408-87-3	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	1H-PYRAZOLE-1-ACETAMIDE, 4-(5,6-DIHYDRO-2-(3-METHYL-1-(1-METHYLETHYL)-1H-1,2,4-TRIAZOL-5-YL)IMIDAZO(1,2-D)(1,4)BENZOXAZEPIN-9-YL)-.ALPHA.,.ALPHA.-DIMETHYL-	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	1H-Pyrazole-1-acetamide, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-alpha,alpha-dimethyl-	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic aci d	PC_51001932
C24H28N8O2	460.5	Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	BEUQXVWXFDOSAQ-UHFFFAOYSA-N	4-[5,6-Dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-|A,|A-dimethyl-1H-pyrazole-1-acetamide	PC_51001932
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	LY2109761	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	700874-71-1	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	LY 2109761	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	LY-2109761	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	4-(2-((4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)oxy)ethyl)morpholine	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	DV3HD37UBK	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	4-(5,6-Dihydro-2-(2-pyridinyl)-4H-pyrrolo(1,2-b)pyrazol-3-yl)-7-(2-(4-morpholinyl)ethoxy)quinoline	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	4-[5,6-Dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-7-[2-(4-morpholinyl)ethoxy]quinoline	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	Quinoline, 4-(5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo(1,2-b)pyrazol-3-yl)-7-(2-(4-morpholinyl)ethoxy)-	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	Quinoline, 4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-7-[2-(4-morpholinyl)ethoxy]-	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	UNII-DV3HD37UBK	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	Dihydropyrrolopyrazole, 15d	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	MLS006010968	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	CHEMBL260015	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	GTPL8075	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	SCHEMBL3737735	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	BDBM21509	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	DTXSID30470111	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	EX-A071	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	HMS3674E17	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	AMY24227	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	BCP02824	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	MFCD12923354	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	NSC765632	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	s2704	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	ZINC14976393	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	AKOS022183732	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	BCP9000868	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	CCG-269143	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	CS-0571	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	NSC-765632	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	SB19481	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	NCGC00242598-01	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	NCGC00242598-03	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	NCGC00242598-10	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	AC-30289	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	AS-56101	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	HY-12075	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	SMR004702772	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	FT-0698866	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	J-514249	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	LY2109761,CAS:700874-71-1	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	Q27082613	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	4-[2-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]quinolin-7-yl}oxy)ethyl]morpholine	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-7-[2-(4-morpholinyl)ethoxy]-quinoline	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	7-(2-morpholin-4-yl-ethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinoline	PC_11655119
C26H27N5O2	441.5	c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1	C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6	IHLVSLOZUHKNMQ-UHFFFAOYSA-N	7-(2-morpholin-4-ylethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)quinoline	PC_11655119
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	371942-69-7	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	YM201636	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	YM-201636	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	YM 201636	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	3-pyridinecarboxamide, 6-amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-amino-n-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-Amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	MLS006010997	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	SCHEMBL258416	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	CHEMBL2178735	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	CHEBI:91382	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	DTXSID90433303	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	EX-A037	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	BCPP000006	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	HMS3229J15	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	HMS3295C07	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	HMS3654F03	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	AMY23718	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	BCP01972	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	MFCD16038303	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	s1219	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	ZINC34048998	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	AKOS027250783	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	CCG-264866	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	CS-0592	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-amino-N-(3-(4-morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenyl)nicotinamide	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	NCGC00346683-01	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	NCGC00346683-09	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-amino-N-[3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	AS-16693	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	HY-13228	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	SMR004702795	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	FT-0756177	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	SW218129-2	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	YM201636 is known as a PIKfyve Inhibitor.	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	A19418	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	942Y697	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	J-518249	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	BRD-K48488978-001-01-2	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	Q27163245	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	YM-201636,CAS:371942-69-7	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-amino-N-[3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenyl]-3-pyridinecarboxamide	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide;YM-201636	PC_9956222
C25H21N7O3	467.5	Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N	YBPIBGNBHHGLEB-UHFFFAOYSA-N	6-Amino-N-{3-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl}pyridine-3-carboxamide	PC_9956222
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Vargatef	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	656247-17-5	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BIBF-1120	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Intedanib	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BIBF 1120	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	928326-83-4	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BIBF1120	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib (BIBF 1120)	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	(Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	CID 9809715	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	G6HRD2P839	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	1160294-26-7	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Methyl (3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	CHEBI:85164	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	(Z)-Methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)-phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Methyl (3Z)-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylidene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib [INN]	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib [USAN]	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib [USAN:INN]	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BIBF1120 (Vargatef)	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	UNII-G6HRD2P839	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Vargatef Base	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib- Bio-X	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib, Free Base	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BIBF1120,Vargatef	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib (Intedanib)	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	INTEDANIB [MI]	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Bibf1120 - Vargatef	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Nintedanib (USAN/INN)	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NINTEDANIB [VANDF]	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NINTEDANIB [WHO-DD]	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	MLS006010165	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	SCHEMBL431006	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	SCHEMBL431007	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	US10669235, Nintedanib	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	GTPL5936	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	SCHEMBL1535871	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	OFEV COMPONENT NINTEDANIB	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	CHEMBL2136735	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	CHEBI:91413	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	HSDB 8339	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	AMY9163	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	DTXSID20918936	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	EX-A341	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BDBM445209	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	DTXSID201025948	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	HMS3244B06	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	HMS3244B10	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	HMS3244B14	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	HMS3295K01	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	HMS3654A05	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BCP01744	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BCP09316	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	EX-A2818	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NINTEDANIB COMPONENT OF OFEV	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BDBM50026612	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	MFCD11974012	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NSC756659	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NSC757442	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NSC800805	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	s1010	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	ZINC22449469	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	AKOS005145820	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	AKOS025401745	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	AKOS026750205	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	ZINC100014909	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	AM84929	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BCP9000405	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	CCG-264775	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	CS-0104	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	DB09079	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	KS-1434	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NSC-756659	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NSC-757442	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NSC-800805	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	SB11190	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NCGC00263156-01	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NCGC00263156-02	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NCGC00263156-13	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NCGC00263156-14	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	NCGC00389321-03	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	AC-25071	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BN164249	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	HY-50904	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	SMR004701273	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	FT-0670358	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	FT-0772497	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	SW218301-2	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	EC-000.2311	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	D10481	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	EN300-188528	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	J-502642	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	BRD-K49075727-001-01-0	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Q15149723	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Q27163267	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Z2756516920	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	(Z)-Methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	3-[[4-[methyl-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	Methyl 2-hydroxy-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-3H-indole-6-carboxylate	PC_135423438
C31H33N5O4	539.6	COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N	methyl 3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate	PC_135423438
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	Pilaralisib	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	934526-89-3	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	XL-147	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	SAR245408	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	SAR-245408	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	Pilaralisib (XL147)	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	60ES45KTMK	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	2-Amino-n-(3-(N-(3-((2-chloro-5-methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-2-methylpropanamide	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	UNII-60ES45KTMK	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	2-amino-N-(3-(N-(3-((2-chloro-5-methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-2-methylpropanamide.	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	SAR 245408	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	Pilaralisib [USAN:INN]	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	Pilaralisib [INN]	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	PILARALISIB [USAN]	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	Pilaralisib, SAR245408	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	PILARALISIB [WHO-DD]	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	SCHEMBL189422	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	CHEMBL3360203	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	SCHEMBL14921345	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	SCHEMBL16154579	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	EX-A196	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	DTXSID701025731	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	AMY10846	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	BCP15312	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	BDBM50197062	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	MFCD26142605	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	NSC791227	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	NSC800853	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	s7645	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	AKOS026750450	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	ZINC100472223	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	CCG-264704	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	CS-1546	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	DB11772	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	NSC-791227	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	NSC-800853	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	SB16574	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	Pilaralisib(XL-147; SAR245408)	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	NCGC00378973-02	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	2-amino-N-[3-({3-[(2-chloro-5-methoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-2-methylpropanamide	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	AC-33122	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	AS-56300	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	DA-40388	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	HY-16526	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	FT-0744481	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	A859771	PC_56599306
C25H25ClN6O4S	541.0	COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	QINPEPAQOBZPOF-UHFFFAOYSA-N	2-AMINO-N-(3-((3-(2-CHLORO-5-METHOXYANILINO)QUINOXALIN-2-YL)SULFAMOYL(PHENYL)-2-METHYLPROPANAMIDE	PC_56599306
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BX-912	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	702674-56-4	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BX912	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-[3-[[5-BROMO-4-[[2-(1H-IMIDAZOL-5-YL)ETHYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BX 912	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	Y7RG737FY6	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	MFCD10565925	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-(3-((4-((2-(1H-imidazol-4-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	1-Pyrrolidinecarboxamide, N-(3-((5-bromo-4-((2-(1H-imidazol-4-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	1-Pyrrolidinecarboxamide, N-(3-((5-bromo-4-((2-(1H-imidazol-5-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	1-Pyrrolidinecarboxamide, N-[3-[[5-bromo-4-[[2-(1H-imidazol-4-yl)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-(3-((5-Bromo-4-((2-(1H-imidazol-5-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	CID 11754511	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	UNII-Y7RG737FY6	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	MLS006011015	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	GTPL8007	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	SCHEMBL3869633	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	CHEMBL3916849	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	SCHEMBL15825412	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BDBM17052	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	CHEBI:91357	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	DTXSID30471901	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	EX-A945	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BCPP000309	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3244G17	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3244G18	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3244H17	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3265I23	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3265I24	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3265J23	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3265J24	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3654D11	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HMS3743G13	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BCP01898	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	ZINC3820559	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	NSC758485	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	AKOS005266650	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	AKOS026750229	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BCP9000468	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	CCG-269454	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	CS-0079	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	NSC-758485	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	SB19281	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	NCGC00346687-01	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	AC-32073	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	AS-16197	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	HY-11005	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-(3-((4-((2-(1H-imidazol-5-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-(3-(4-(2-(1H-imidazol-4-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-[3-[[4-[[2-(4-Imidazolyl)ethyl]amino]-5-bromo-2-pyrimidinyl]amino]phenyl]pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	SMR004702813	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	SY280412	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	FT-0700351	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	S1275	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	SW220162-1	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	674P564	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	A866641	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	J-522977	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	BRD-K49669041-001-01-9	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	Q27075611	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-(3-((4-((2-(1H-imidazol-4-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide;BX-912	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-(3-(4-(2-(1H-imidazol-5-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-[3-[[5-bromo-4-[2-(3H-imidazol-4-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	N-{3-[(5-bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide	PC_11754511
C20H23BrN8O	471.4	O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N	Pyrrolidine-1-carboxylic acid (3-{5-bromo-4-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-2-ylamino}-phenyl)-amide	PC_11754511
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	391210-10-9	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD0325901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD 0325901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD-0325901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Mirdametinib	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	(R)-N-(2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD-325901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	(R)-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)BENZAMIDE	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD 325901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Mirdametinib [USAN]	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD325901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	86K0J5AK6M	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	CHEMBL507361	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	CHEBI:88249	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Pd 901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Mirdametinib (USAN)	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	NCGC00189075-01	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Pd 03525901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-((R)-2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-[((R)-2,3-dihydroxypropyl)oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	391209-97-5	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	UNII-86K0J5AK6M	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-[(R)-2,3-Dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	4BM	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-(((R)-2,3-DIHYDROXYPROPYL)OXY)-3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZAMIDE	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-((2R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)-BENZAMIDE	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	MIRDAMETINIB [INN]	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	DSSTox_CID_24024	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	DSSTox_RID_80100	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	DSSTox_GSID_44024	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	MIRDAMETINIB [WHO-DD]	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD0325901(Mirdametinib)	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	SCHEMBL172904	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	GTPL7935	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	DTXSID0044024	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	EX-A102	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	BCPP000126	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	BDBM104963	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	HMS3648A14	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	AMY36437	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	ZINC3938683	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Tox21_113364	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	MFCD09909925	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	NSC755770	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	NSC800840	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	s1036	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	WHO 11299	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	AKOS015855518	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	BCP9001057	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	CCG-221316	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	CS-0062	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	DB07101	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	EX-8602	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	NSC-755770	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	NSC-800840	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	NCGC00381744-09	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	HY-10254	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	US8575391, Q	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	BB 0261791	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	CAS-391210-10-9	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	SW218101-2	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	D11675	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD-0325901,PD325901	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD 0325901, >=98% (HPLC)	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	PD0325901 (PD325901)	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	SR-01000946344	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	J-502503	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	SR-01000946344-1	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	BRD-K49865102-001-01-9	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Q27088255	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	Benzamide,N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-((R)-2,3-Dihydroxy[propoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-(2,3-Dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2[(2-fluoro-4-iodophenyl)amino]-benzamide	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	(-)-N-(((R)-2,3-DIHYDROXYPROPYL)OXY)-3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZAMIDE	PC_9826528
C16H14F3IN2O4	482.19	O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N	N-(((R)-2,3-DIHYDROXYPROPYL)OXY)-3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZAMIDE N-((2R)-2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOANILINO)BENZAMIDE	PC_9826528
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	761439-42-3	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NVP-TAE684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	TAE684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NVP-TAE 684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	TAE-684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	TAE684 (NVP-TAE684)	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	TAE 684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NVT-TAE-684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-Chloro-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-pyrimidinediamine	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	CHEMBL509032	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	EH1713MN4K	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	BDBM50242742	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-Chloro-N-[2-Methoxy-4-[4-(4-Methylpiperazin-1-Yl)piperidin-1-Yl]phenyl]-N'-(2-Propan-2-Ylsulfonylphenyl)pyrimidine-2,4-Diamine	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	UNII-EH1713MN4K	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NVP-TAE684-TAE 684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	GUI	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	Kinome_1205	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	Nv--tae684	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	MLS006010970	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	SCHEMBL282775	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	GTPL5714	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	CHEBI:91338	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	DTXSID30227001	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	EX-A427	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	BCPP000143	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	BDBM482158	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	HMS3265E03	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	HMS3265E04	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	HMS3265F03	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	HMS3265F04	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	BCP01828	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	MFCD11977634	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NSC764041	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	s1108	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	ZINC55760827	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	AKOS005145672	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	BCP9001015	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	CCG-270242	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	ES-0036	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NSC-764041	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	SB19385	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NCGC00238453-01	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NCGC00238453-02	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	NCGC00238453-07	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-chloro-2-N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	AC-33167	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	HY-10192	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	SMR004702774	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	A9654	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	FT-0700362	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	EC-000.2345	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	439N423	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	J-517400	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	BRD-K50140147-001-01-0	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	Q27088117	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	4-[1-(4-{[5-CHLORO-4-({2-[(1-METHYLETHYL)SULFONYL]PHENYL}AMINO)PYRIMIDIN-2-YL]AMINO}-3-METHOXYPHENYL)PIPERIDIN-4-YL]-1-METHYLPIPERAZIN-1-IUM	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N''-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-chloro-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N~4~-{2-[(1-methylethyl)sulfonyl]phenyl}pyrimidine-2,4-diamine	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-Chloro-n2-[2-Methoxy-4-[4-(4-Methyl-1-piperazinyl)-1-Piperidinyl]phenyl]-n4-[2-[(1-Methylethyl)sulfonyl]phenyl]-2,4-pyrimidinediam ine	PC_16038120
C30H40ClN7O3S	614.2	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	5-chloro-N2-[2-methoxy-4-[4-(4-methyl-1-pyperidinyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-Pyrimidinediamine	PC_16038120
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Canertinib	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	267243-28-7	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CI-1033	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	PD-183805	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Canertinib free base	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	C78W1K5ASF	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CHEMBL31965	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CHEBI:61399	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	267243-28-7 (free base)	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-(morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	NCGC00182713-01	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Canertinib (CI-1033)	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	PD183805	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Canertinib [INN]	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Canertinib [INN:BAN]	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	SN-26606	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CI-1033(Canertinib)	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CI1033	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	UNII-C78W1K5ASF	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CANETINIB	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CANERTINIB [MI]	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Caneritinib; CI-1033	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Canertinib - CI-1033	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CI-1033 (Canertinib)	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CANERTINIB [WHO-DD]	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	DSSTox_CID_28869	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	DSSTox_RID_83138	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	DSSTox_GSID_48943	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	SCHEMBL54837	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	MLS004774146	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	PD 183805 dihydrochloride	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	BDBM4779	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	cid_156414	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	GTPL5675	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	DTXSID8048943	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	EX-A078	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	BCPP000301	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	HMS3244M17	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	HMS3244M18	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	HMS3244N17	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	BCP01790	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Tox21_113361	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	NSC780019	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	NSC801011	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	s1019	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	ZINC27439698	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	AKOS005145818	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	BCP9000481	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	BCP9000482	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	BCP9000525	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CCG-269588	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CS-0121	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	DB05424	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	NSC-780019	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	NSC-801011	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	SB16594	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-[4-(3-chloro-4-fluoro-anilino)-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enamide	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	NCGC00182713-02	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	NCGC00182713-18	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	AS-56189	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	HY-10367	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	SMR003500789	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	PD0183805	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	CAS-267243-28-7	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	FT-0654215	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	EC-000.2258	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	A25038	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	EN300-6493001	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	499C452	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Q5032274	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	Z166624030	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	2-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(3-(4-MORPHOLINYL)PROPOXY)-6-QUINAZOLINYL)-	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-(4-(3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(3-MORPHOLIN-4-YL)PROPOXY)QUINAZOLIN-6-YL)PROP-2-ENAMIDE	PC_156414
C24H25ClFN5O3	485.9	C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N	N-[4-(3-chloro-4-fluoro-phenyl-amino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide	PC_156414
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabozantinib	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	849217-68-1	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cometriq	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL184	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL-184	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BMS-907351	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL 184	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BMS 907351	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL-184 free base	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabozantinib (XL184, BMS-907351)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabozantinib [USAN]	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CHEBI:72317	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BMS907351	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	1C39JW444G	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BMS-907351 FREE BASE	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	MFCD20926324	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabozantinib (USAN)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	N'-[4-[(6,7-DIMETHOXY-4-QUINOLINYL)OXY]PHENYL]-N-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabometyx (TN)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cometriq (TN)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	n-(4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	1,1-Cyclopropanedicarboxamide, N'-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL184 cpd	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabozantinib [USAN:INN]	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Carbozantinib	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	UNII-1C39JW444G	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	1,1-CYCLOPROPANEDICARBOXAMIDE, N'-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N-(4-FLUOROPHENYL)-	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL184 free base	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabozantinib (free base)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CABOZANTINIB [MI]	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CABOZANTINIB [INN]	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CABOZANTINIB [VANDF]	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CABOZANTINIB [WHO-DD]	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	SCHEMBL360795	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	GTPL5887	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Cabozantinib (BMS-907351)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CHEMBL2105717	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	DTXSID10233968	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	EX-A075	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL184 free base - Cabozantinib	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BCPP000308	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	HMS3654G06	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL-184 free base (Cabozantinib)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BCP02591	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	849217-68-1 (free base)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BDBM50021574	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	NSC761068	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	NSC800066	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	s1119	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	ZINC70466416	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	AKOS025142112	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BCP9000470	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CCG-264678	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	CS-0278	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	DB08875	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	NSC-761068	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	NSC-800066	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	SB20062	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL-184 (Cabozantinib,BMS907351)	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	XL-184,Cabozantinib, BMS-907351	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	NCGC00263164-01	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	NCGC00263164-14	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	NCGC00263164-17	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	1,1-Cyclopropanedicarboxamide,N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N'-(4-fluorophenyl)-	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	AC-25082	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	AS-16277	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	HY-13016	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1- dicarboxamide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	SY097158	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	DB-023624	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	FT-0664184	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	SW218093-3	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	D10062	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	AB01565831_02	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	Q795057	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	SR-01000941569	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	J-523016	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	SR-01000941569-1	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	BRD-K51544265-001-01-8	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	1,1-Cyclopropanedicarboxamide, N'-(4-((6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4- fluorophenyl)-	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	1,1-CYCLOPROPANEDICARBOXAMIDE, N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	cyclopropane-1,1-dicarboxylic acid [4-(6,7-dimethoxy-quinoline-4-yloxy)-phenyl]-amide(4-fluoro-phenyl)-amide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	cyclopropane-1,1-dicarboxylic acid[4-(6,7-dimethoxy-quinoline-4-yloxy)-phenyl]-amide (4-fluoro-phenyl)-amide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	N-(4-{[6,7-bis(methyloxy)quinolin-4-yl]oxy}phenyl)-N'-(4 fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	N-(4-{[6,7-bis(methyloxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide	PC_25102847
C28H24FN3O5	501.5	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N	N-[4-[(6,7-Dimethoxyquinolin-4-yl)oxy]phenyl]-N inverted exclamation mark -(4-fluorophenyl)cyclopropane-1,1-dicarboxamide	PC_25102847
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	TPCA-1	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	507475-17-4	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	5-(4-Fluorophenyl)-2-ureidothiophene-3-carboxamide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	IKK-2 Inhibitor IV	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	TPCA1	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	IKK2 Inhibitor IV	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	IKK 2 Inhibitor IV	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	TPCA 1	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	CHEMBL257167	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	9M632G86CC	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	2-[(aminocarbonyl)amino]-5-(4-fluorophenyl)-3-thiophenecarboxamide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	3qfv	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	NM7	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	MFCD09037541	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	GW683965	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	MLS006011211	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	SCHEMBL717369	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	UNII-9M632G86CC	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	GTPL5986	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	CHEBI:91403	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	DTXSID50432635	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HMS3229I12	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HMS3269B09	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HMS3295G17	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HMS3411K20	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HMS3651H15	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HMS3675K20	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HMS3742G15	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	BCP05956	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	EX-A1043	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	ZINC3960707	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	BDBM50230828	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	s2824	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	SC-440	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	AKOS016007076	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	CCG-206853	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	SB19540	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	TPCA-1, >=95% (HPLC)	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	NCGC00167773-01	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	NCGC00167773-03	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	AC-32885	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	AS-68375	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	HY-10074	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	SMR001834876	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	DB-014822	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	FT-0715683	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	SW218246-2	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	F30163	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	A871465	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	BRD-K51575138-001-01-7	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	Q27078038	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	5-(4-fluorophenyl)-2-ureido-thiophene-3 carboxylic acid amide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	5-(4-Fluorophenyl)-2-ureidothiophene-3-carboxylic acid amide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	5-(4-luorophenyl)-2-ureidothiophene-3-carboxylic acid amide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	3-thiophenecarboxamide,2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	5-(4-fluoro-phenyl)-2-ureido-thiophene-3-carboxylic acid amide	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	3-THIOPHENECARBOXAMIDE, 2-((AMINOCARBONYL)AMINO)-5-(4-FLUOROPHENYL)-	PC_9903786
C12H10FN3O2S	279.29	NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F	SAYGKHKXGCPTLX-UHFFFAOYSA-N	UTC	PC_9903786
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	TAK-715	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	303162-79-0	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	TAK 715	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	TAK715	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-(4-(2-ethyl-4-(m-tolyl)thiazol-5-yl)pyridin-2-yl)benzamide	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	Benzamide, N-[4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	C24H21N3OS	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	CHEMBL363648	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	WE92U03C5Z	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	Benzamide, N-(4-(2-ethyl-4-(3-methylphenyl)-5-thiazolyl)-2-pyridinyl)-	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	UNII-WE92U03C5Z	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-{4-[2-ETHYL-4-(3-METHYLPHENYL)-1,3-THIAZOL-5-YL]PYRIDIN-2-YL}BENZAMIDE	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	T75	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	Kinome_2655	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-(4-(2-Ethyl-4-(3-methylphenyl)-thiazol-5-yl)pyridin-2-yl)benzamide	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-(4-(2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	MLS006011241	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	SCHEMBL297487	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	GTPL9328	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	CHEBI:91360	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	DTXSID20184412	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	TAK0715	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	BCPP000054	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3244J06	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3244J10	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3244J14	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3265K09	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3265K10	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3265L09	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3265L10	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HMS3651N12	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	BCP01965	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	EX-A2443	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	ZINC6717791	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	BDBM50173609	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	NSC785339	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	s2928	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	AKOS015904193	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	CCG-268646	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	CS-0073	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	NSC-785339	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	SB19426	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	compound 8h [PMID: 16162000]	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	NCGC00345834-01	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	NCGC00345834-05	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	AC-36073	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	AS-16239	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	HY-10456	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	SMR004703001	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	TAK-715, >=98% (HPLC)	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	FT-0763334	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	SW219195-1	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	D70787	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	A876221	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	J-017905	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	J-523020	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	BRD-K52751261-001-01-2	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	Q27163230	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-(4-(2-Ethyl-4-m-Tolylthazol-5-yl)pyrdn-2-yl)benzamde	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-[4-[2-ethyl-4-(m-tolyl)thiazol-5-yl]-2-pyridyl]benzamide	PC_9952773
C24H21N3OS	399.5	CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1	CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C	HEKAIDKUDLCBRU-UHFFFAOYSA-N	N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide	PC_9952773
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Tivozanib	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	475108-18-0	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV-951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Tivozanib (AV-951)	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	KRN-951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV 951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	1-(2-Chloro-4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)-3-(5-methylisoxazol-3-yl)urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	KRN951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	fotivda	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	KIL8951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	KRN 951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	N-[2-CHLORO-4-[(6,7-DIMETHOXY-4-QUINOLYL)OXY]PHENYL]-N'-(5-METHYL-3-ISOXAZOLYL)UREA	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Kil-8951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	CHEMBL1289494	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV-951;KRN951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	1-(2-CHLORO-4-(6,7-DIMETHOXYQUINOLIN-4-YLOXY)PHENYL)-3-(5-METHYLISOXAZOL-3-YL)UREA	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	172030934T	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	1-(2-Chloro-4-((6,7-dimethoxyquinolin-4-yl)-oxy)phenyl)-3-(5-methylisoxazol-3-yl)urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-(5-methyl-1,2-oxazol-3-yl)urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	N-(2-Chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Urea, N-(2-chloro-4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)-	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Tivozanib [USAN]	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	ASP-4130	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Tivozanib [USAN:INN]	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	4ase	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	N-{2-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(5-methyl-3-isoxazolyl)urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV9	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	UNII-172030934T	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV-951,Tivozanib	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Tivozanib(AV-951)	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	TIVOZANIB [INN]	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV951 cpd	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Tivozanib (USAN/INN)	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Tivozanib - AV-951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	TIVOZANIB [WHO-DD]	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	MLS006011287	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	SCHEMBL172883	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	GTPL6058	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	CHEBI:91327	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	DTXSID20963865	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	EX-A472	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3229O09	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3244C19	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3244C20	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3244D19	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3265A11	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3265A12	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3265B11	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3265B12	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3654G22	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HMS3745C05	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AMY39975	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	BCP01980	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	ZINC1489430	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	VEGFR Tyrosine Kinase Inhibitor IV	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	BDBM50331095	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	MFCD15146788	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	NSC758007	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	NSC800952	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	s1207	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AKOS022177607	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AV951 (KRN951, TIVOZANIB)	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	BCP9000343	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	CCG-206805	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	CS-0103	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	DB11800	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	EX-8600	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	NSC-758007	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	NSC-800952	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	PB28569	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	NCGC00249390-01	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	NCGC00249390-05	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	NCGC00249390-12	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AC-24702	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	AS-16997	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	BT160380	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	HY-10977	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	SMR004703037	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	FT-0700315	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	SW219364-1	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	A24970	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	D09683	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	108K180	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	EN300-18167318	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	J-502964	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	Q7810457	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	BRD-K53414658-001-01-7	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	N-{2-Chloro-4-[(6,7-dimethoxy-4-quinolyl)-oxy]phenyl}-N'-(5-methyl-3-isoxazolyl)urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	1-(2-chloro-4-(6,7-dimethoxyquinolin-4-yloxy)phenyl)-3-(5-methylisoxazol-3-yl)urea;AV-951	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea	PC_9911830
C22H19ClN4O5	454.9	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	N-(2-CHLORO-4-((6,7-DIMETHOXYQUINOLIN-4-YL)OXY)PHENYL)-N'-(5-METHYLISOXAZOL-3-YL)UREA	PC_9911830
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	PRT062607	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	1370261-96-3	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	PRT-062607	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	P505-15	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	CHEMBL2177736	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	K9C42672RH	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	BIIB-057	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]-5-pyrimidinecarboxamide	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	4-((3-(2H-1,2,3-Triazol-2-yl)phenyl)amino)-2-(((1R,2S)-2-aminocyclohexyl)amino)pyrimidine-5-carboxamide	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	4-(3-(2H-1,2,3-Triazol-2-yl)phenylamino)-2-((1R,2S)-2-aminocyclohexylamino)pyrimidine-5-carboxamide	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	5-Pyrimidinecarboxamide, 2-(((1R,2S)-2-aminocyclohexyl)amino)-4-((3-(2H-1,2,3-triazol-2-yl)phenyl)amino)-	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	PRT-2607	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	2-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-Triazol-2-Yl)phenyl]amino}pyrimidine-5-Carboxamide	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	BIIB057	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	SCHEMBL899872	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	UNII-K9C42672RH	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	GTPL8070	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	AMY9038	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	EX-A1592	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	BDBM50400047	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	NSC776786	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	ZINC95572830	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	CS-3535	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	NSC-776786	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	PRT 062607	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	NCGC00351606-09	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	HY-15322	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	E98978	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	P 505-15	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	BRD-K53734668-003-04-6	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	Q27088231	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	P505-15, PRT062607,PRT-2607, BIIB-057	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	1194954-52-3	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	4-(3-(2H-1,2,3-TRIAZO-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO) PYRIMIDINE-5-CARBOXAMIDE	PC_44462758
C19H23N9O	393.4	NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1	C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N	TXGKRVFSSHPBAJ-JKSUJKDBSA-N	5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]-, rel-	PC_44462758
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	Ruxolitinib	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	941678-49-5	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB018424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	Ruxolitinib (INCB018424)	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB-018424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB 018424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INC424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	82S8X8XX8H	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	CHEBI:66919	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(R)-ruxolitinib	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INC-424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB-18424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB18424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	R-Ruxolitinib	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	Ruxolitinib [INN]	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	Ruxolitinib [USAN:INN]	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	UNII-82S8X8XX8H	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB 18424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INC 424	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(3R)-3-CYCLOPENTYL-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	RXT	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	RUXOLITINIB [MI]	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	Ruxolitinib (USAN/INN)	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB18424,Ruxolitinib	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	RUXOLITINIB [USAN]	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	RUXOLITINIB [VANDF]	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	RUXOLITINIB [WHO-DD]	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	SCHEMBL171319	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	GTPL5688	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	INCB018424 - Ruxolitinib	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	CHEMBL1789941	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	SCHEMBL16546708	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	HSDB 8259	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	DTXSID10240930	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	ACT06813	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	AMY24152	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	EX-A1670	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	BDBM50355501	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	MFCD12031592	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NSC763371	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NSC800874	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	s1378	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	ZINC43207851	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	AKOS016842401	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	BCP9000784	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	CCG-264889	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	CS-0864	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	DB08877	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NSC-763371	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NSC-800874	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NCGC00244253-01	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NCGC00244253-02	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NCGC00244253-11	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	NCGC00244253-12	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	AC-24280	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	AS-18619	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	HY-50856	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	1092939-15-5	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	A14955	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	A23578	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	D09959	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	AB01565782_02	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	EN300-18772174	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	Q7383611	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	BRD-K53972329-001-02-1	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	BRD-K53972329-001-03-9	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(3R)-3-cyclopentyl-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H -pyrazol-1-yl)-3-cyclopentylpropanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	3-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(beta-R)-1H-pyrazole-1-propanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	A-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(AR)-1H-pyrazole-1-propanenitrile	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	(3R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile;Ruxolitinib	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-CYCLOPENTYL-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (.BETA.R)-	PC_25126798
C17H18N6	306.4	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N	1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-,(betaR)-	PC_25126798
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	MK-1775	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	955365-80-7	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	Adavosertib	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	MK1775	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	MK 1775	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	AZD1775	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	AZD-1775	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	AZD 1775	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	K2T6HJX3I3	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	MFCD17215200	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	Adavosertib (USAN)	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	ADAVOSERTIB [USAN]	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	3H-Pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	1-[6-(2-Hydroxypropan-2-Yl)pyridin-2-Yl]-6-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}-2-(Prop-2-En-1-Yl)-1,2-Dihydro-3h-Pyrazolo[3,4-D]pyrimidin-3-One	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)-	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	UNII-K2T6HJX3I3	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	8X7	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	Kinome_2656	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	ADAVOSERTIB [INN]	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	Adavosertib; MK-1775	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	Adavosertib (MK-1775)	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	ADAVOSERTIB [WHO-DD]	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	MLS006011025	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	GTPL7702	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	SCHEMBL1504444	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	CHEMBL1976040	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	CHEBI:91414	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	DTXSID30241868	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	EX-A331	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	HMS3295K03	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	HMS3654H20	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	HMS3744I13	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	BCP01928	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	BDBM50240826	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	MK-1775 (WEE-1)	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	NSC754352	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	NSC800793	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	s1525	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	ZINC63539231	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	AKOS024259153	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	MK-1775(AZD-1775,Adavosertib)	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	Adavosertib  pound MK-1775 pound(c)	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	AM90274	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	BCP9000937	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	CCG-264905	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	CS-0105	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	DB11740	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	NSC-754352	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	NSC-800793	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	SB16663	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	NCGC00263183-01	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	NCGC00263183-09	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	NCGC00263183-10	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	2-allyl-1-(6-(2-hydroxy-2-propanyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1,2-dihydro-3H-pyrazolo(3,4-d)pyrimidin-3-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	2-Allyl-1-[6-(2-hydroxy-2-propyl)-2-pyridyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]pyrazolo[3,4-d]pyrimidin-3(2H)-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	AC-28416	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	AS-17001	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	BM161385	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	HY-10993	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	SMR004702820	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	SY258875	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	FT-0699265	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	SW218122-2	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	D11361	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	BRD-K54256913-001-01-2	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	Q27074716	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	1,2-DIHYDRO-1-(6-(1-HYDROXY-1-METHYLETHYL)-2-PYRIDINYL)-6-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-2-(2-PROPEN-1-YL)-3H-PYRAZOLO(3,4-D)PYRIMIDIN-3-ONE	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	1-[6-(2-Hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	1075739-30-8	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazo	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one	PC_24856436
C27H32N8O2	500.6	C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N	2-Allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one	PC_24856436
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	Niraparib	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	1038915-60-4	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MK-4827	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	(S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MK4827	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	Niraparib [USAN]	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MK 4827	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	HMC2H89N35	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	CHEMBL1094636	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	Niraparib (USAN)	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	ZL-2306	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	JNJ-64091742	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	Niraparib [USAN:INN]	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	UNII-HMC2H89N35	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MK 4827 (Base)	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	3JD	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	Zejula (TN)	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NIRAPARIB [INN]	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NIRAPARIB [MI]	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MK-4827(Niraparib)	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NIRAPARIB [WHO-DD]	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	GTPL8275	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	SCHEMBL1421875	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	AMY4192	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	DTXSID50146129	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	EX-A290	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	CHEBI:176844	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MK-4827 (PARP-1)	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	BDBM50316226	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MFCD17779309	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NSC754355	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NSC800020	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	s2741	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	ZINC43206370	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	AKOS016004869	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	BCP9000940	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	CCG-267709	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	compound 56 [PMID 19873981]	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	CS-0780	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	DB11793	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	MK-4827/MK4827	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NSC-754355	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NSC-800020	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NCGC00346435-01	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	NCGC00346435-04	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	AC-28447	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	AS-35248	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	HY-10619	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	BCP0726000077	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	D10140	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	EN300-7364833	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	A857972	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	Q25326660	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	2-[4-[(3S)-3-Piperidyl]phenyl]indazole-7-carboxamide	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	2-[4-(3S)-3-Piperidinylphenyl]-2H-indazole-7-carboxamide	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]	PC_24958200
C19H20N4O	320.4	NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	PCHKPVIQAHNQLW-CQSZACIVSA-N	2H-INDAZOLE-7-CARBOXAMIDE, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-	PC_24958200
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	alpelisib	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	1217486-61-7	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	BYL-719	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	BYL719	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Piqray	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	NVP-BYL719	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Vijoice	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Alpelisib (BYL719)	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	BYL 719	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	CHEMBL2396661	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	08W5N2C97Q	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(S)-Pyrrolidine-1,2-dicarboxylic acid 2-amide 1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-pyridin-4-yl)thiazol-2-yl)amide	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	1,2-Pyrrolidinedicarboxamide, N1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)-, (2S)-	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	1,2-PYRROLIDINEDICARBOXAMIDE, N1-[4-METHYL-5-[2-(2,2,2-TRIFLUORO-1,1-DIMETHYLETHYL)-4-PYRIDINYL]-2-THIAZOLYL]-, (2S)-	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Alpelisib [INN]	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(2s)-N~1~-{4-Methyl-5-[2-(1,1,1-Trifluoro-2-Methylpropan-2-Yl)pyridin-4-Yl]-1,3-Thiazol-2-Yl}pyrrolidine-1,2-Dicarboxamide	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(S)-N1-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	UNII-08W5N2C97Q	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	4jps	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	1LT	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Alpelisib [USAN]	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Piqray (TN)	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	ALPELISIB [JAN]	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	ALPELISIB [MI]	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Alpelisib [USAN:INN]	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	ALPELISIB [WHO-DD]	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Alpelisib (JAN/USAN/INN)	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	GTPL7955	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	SCHEMBL1911869	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	ALPELISIB [ORANGE BOOK]	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	CHEBI:93752	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	DTXSID70153355	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	EX-A405	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	BYL 719; BYL719	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	BDBM50436459	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	MFCD22417085	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	NSC765974	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	NSC800065	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	s2814	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	ZINC68198368	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	AKOS022186315	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	CCG-269139	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	CS-0663	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	DB12015	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	NSC-765974	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	NSC-800065	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	NCGC00346717-03	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	NCGC00346717-06	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidine	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	1217486-47-9	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	AS-16349	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	HY-15244	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	SW220128-1	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	cas:1217486-61-7;BYL-719	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	D11011	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	A855666	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	EN300-23810842	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	J-004627	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Q27074391	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-diMethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxaMide;Alpelisib	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(2S)-N1-{4-Methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide	PC_56649450
C19H22F3N5O2S	441.5	Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N	(2S)-N1-{4-METHYL-5-[2-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)PYRIDIN-4-YL]-1,3-THIAZOL-2-YL}PYRROLIDINE-1,2-DICARBOXAMIDE	PC_56649450
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	ABT-737	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	852808-04-9	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	ABT 737	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	ABT737	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	UNII-Z5NFR173NV	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]benzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	Z5NFR173NV	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	CHEMBL376408	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	(R)-4-(4-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-{4-[(4'-Chlorobiphenyl-2-Yl)methyl]piperazin-1-Yl}-N-{[4-({(1r)-3-(Dimethylamino)-1-[(Phenylthio)methyl]propyl}amino)-3-Nitrophenyl]sulfonyl}benzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	2yxj	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	BENZAMIDE, 4-(4-((4'-CHLORO(1,1'-BIPHENYL)-2-YL)METHYL)-1-PIPERAZINYL)-N-((4-(((1R)-3-(DIMETHYLAMINO)-1-((PHENYLTHIO)METHYL)PROPYL)AMINO)-3-NITROPHENYL)SULFONYL)-	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	N3C	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	SCHEMBL158942	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	GTPL8320	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	ABT 737 [WHO-DD]	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	DTXSID7042641	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	N-Benylpiperazine derivative, 2	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	BDBM21447	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	CHEBI:47575	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	EX-A056	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	MFCD12756212	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	NSC758873	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	s1002	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	ZINC94303099	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	compound 2 [PMID 17256834]	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	AKOS016003299	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	AM81254	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	CCG-264769	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	CS-0014	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	NSC-758873	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	NCGC00253562-01	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	NCGC00253562-02	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	BP-25381	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	HY-50907	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	SW218108-2	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	808A049	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	BRD-K56301217-001-01-7	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	Q25105040	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-(4-((4'-chloro-1,1'-biphenyl-2-yl)methyl)-1-piperazinyl)-N-((4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)propyl)amino)-3-nitrophenyl)sulfony)benzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4- (dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl] sulfonylbenzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-{4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-N-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene-1-sulfonyl)benzamide	PC_11228183
C42H45ClN6O5S2	813.4	CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	4-{4-[(4'-chloro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]benzamide	PC_11228183
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	199433-58-4	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	Y-33075	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	Y-39983	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	Y-39983 free base	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	00ALI1GAY2	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	Benzamide, 4-(1-aminoethyl)-N-1H-pyrrolo(2,3-b)pyridin-4-yl-, (R)-	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	CHEMBL571948	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	(R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	4-[(1R)-1-Aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	Y 39983	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	UNII-00ALI1GAY2	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	SCHEMBL226556	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	CHEBI:91412	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	DTXSID50173718	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	(R)-4-(1-Aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-ylbenzamide	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	ZHA43358	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	BDBM50319005	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	NSC800973	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	ZINC13907839	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	CS-0097	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	NSC-800973	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	NCGC00346944-01	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	NCGC00346944-02	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	HY-10067	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	A910273	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	BRD-K56751279-001-01-8	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	Q27163266	PC_9810884
C16H16N4O	280.32	CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N	JTVBXQAYBIJXRP-SNVBAGLBSA-N	N-(1H-Pyrrolo[2,3-b]pyridine-4-yl)-4-[(R)-1-aminoethyl]benzamide	PC_9810884
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	Dacinostat	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	404951-53-7	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	NVP-LAQ824	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	LAQ824	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	LAQ-824	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	Dacinostat [INN]	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	LAQ824 (Dacinostat)	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	CHEMBL356066	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(E)-N-Hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]meth yl]phenyl]prop-2-enamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	2-Propenamide, N-hydroxy-3-[4-[[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	Dacinostat (NVP-LAQ824, LAQ824)	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	V10P524501	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl}phenyl)prop-2-enamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(2E)-N-hydroxy-3-[4-({(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(2e)-n-hydroxy-3-[4-[[(2-hydroxyethyl)[2-(1h-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	NVP-LAQ 824	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	LAQ824 (NVP-LAQ824,Dacinostat)	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	UNII-V10P524501	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(2E)-N-Hydroxy-3-(4-(((2-hydroxyethyl)(2-(1H-indol-3-yl)ethyl)amino)methyl)phenyl)propenamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(2E)-N-Hydroxy-3-(4-({(2-hydroxyethyl)(2-(1H-indol-3-yl)ethyl)amino}methyl)phenyl)propenamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	2-Propenamide, N-hydroxy-3-(4-(((2-hydroxyethyl)(2-(1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	DACINOSTAT [WHO-DD]	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	SCHEMBL95240	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	MLS006010418	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	MLS006011098	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	SCHEMBL181782	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	GTPL7497	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	LAQ824,NVP-LAQ824	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	BDBM19428	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	CHEBI:94063	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	DTXSID50870351	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	BCP01747	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	EX-A2226	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	ZINC1494627	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	MFCD09970778	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	s1095	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	AKOS015899788	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	LAQ824; Dacinostat; NVP-LAQ824	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	BCP9000839	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	CCG-208761	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	CS-1974	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(E)-3-(4-(((2-(1H-indol-3-yl)ethyl)(2-hydroxyethyl)amino)methyl)phenyl)-N-hydroxyacrylamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	NCGC00345539-05	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	AC-35358	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	AS-74728	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	HY-13606	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	SMR004701446	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	SMR004702886	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	SW219385-1	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	EC-000.2469	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	N10565	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	A825135	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	BRD-K56957086-001-02-2	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	Q27076972	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(E)-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-oxidanyl-prop-2-enamide	PC_6445533
C22H25N3O3	379.5	O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide	PC_6445533
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	1110813-31-4	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	PF-00299804	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	PF299804	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib (PF299804, PF299)	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib anhydrous	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(E)-N-(4-((3-chloro-4-fluorophenyl)aMino)-7-Methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enaMide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	PF-299804	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib (PF299804)	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	2XJX250C20	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	PF 00299804-03	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib (INN)	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-Enamide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	DACOMITINIB [INN]	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	PF-299804 (Dacomitinib PF-00299804)	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib [USAN:INN]	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	dacomitinibum	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	UNII-2XJX250C20	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	PF299	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	PF-299	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	DACOMITINIB [WHO-DD]	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	MLS006011275	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	GTPL7422	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	CHEMBL2110732	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	CHEBI:91466	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	DTXSID50149493	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	EX-A030	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	CHEBI:132268	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	BDBM112499	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib (PF-00299804)	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	AMY21292	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	BCP02530	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	MFCD19443734	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	NSC765888	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	NSC800084	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	s2727	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	ZINC72266312	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	AKOS025401818	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	CCG-264987	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	CS-0500	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	DB11963	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	NSC-765888	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	NSC-800084	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	US8623883, No. 2	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	NCGC00263185-09	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	NCGC00263185-10	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	AC-25915	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	AS-57686	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	HY-13272	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	SMR004703025	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	D5450	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	SW219155-1	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	D09883	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Dacomitinib (PF299804, PF-00299804)	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	EN300-7406881	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	J-500784	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	Q17130597	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(2E)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)-4-PIPERIDIN-1-YLBUT-2-ENAMIDE	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(2E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(E)-N-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide	PC_11511120
C24H25ClFN5O2	469.9	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N	2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-, (2E)-	PC_11511120
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	Daporinad	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	658084-64-1	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FK866	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FK-866	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	APO-866	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	APO866	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FK 866	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	APO 866	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	Daporinad [INN]	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	201034-75-5	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(E)-N-(4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL)-3-(PYRIDIN-3-YL)ACRYLAMIDE	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FK866 hydrochloride hydrate	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	V71TF6V9M7	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	K 22.175	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(2E)-N-(4-(1-Benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)prop-2-enamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FK-866 HCl	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(E)-N-[4-(1-Benzoyl-piperidin-4-yl)-butyl]-3-pyridin-3-yl-acrylamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	2gvj	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(2e)-N-{4-[1-(Benzenecarbonyl)piperidin-4-Yl]butyl}-3-(Pyridin-3-Yl)prop-2-Enamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	UNII-V71TF6V9M7	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	DGB	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FK866 (APO866)	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	4o1b	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	4o1d	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	Daporinad (APO866)	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	DAPORINAD [WHO-DD]	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	CHEMBL566757	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	Daporinad(FK866,APO866)	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	GTPL7745	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	BDBM81395	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	CHEBI:94671	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	EX-A430	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	2g97	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	CHEBI:187413	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	Daporinad (FK866, APO866)	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	DTXSID101026050	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	BCP01909	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	ZINC3828115	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FD5006	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	MFCD10565943	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	n-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2e-propenamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	NSC760442	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	NSC777194	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	s2799	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	AKOS015994576	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-(PYRIDIN-3-YL)PROP-2-ENAMIDE	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	BCP9000687	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	CCG-208012	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	DB12731	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	ES-0047	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	NSC 751605	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	NSC-760442	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	NSC-777194	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	NCGC00182868-04	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	A850039	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	A930135	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	EN300-24106674	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	BRD-K58550667-001-01-2	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	Q27076984	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(E)-N-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	2-PROPENAMIDE, N-(4-(1-BENZOYL-4-PIPERIDINYL)BUTYL)-3-(3-PYRIDINYL)-, (2E)-	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	FK 866;(E)-N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	Nicotinamide Phosphoribosyltransferase Inhibitor, FK866 - CAS 658084-64-1	PC_6914657
C24H29N3O2	391.5	O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	1198425-96-5	PC_6914657
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	1173900-33-8	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	AZD6482	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	AZD-6482	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	AZD 6482	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	(R)-2-(1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethylamino)benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	CHEMBL2165191	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	78G6MP5PZ5	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	AZD 6482 [WHO-DD]	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	(R)-2-((1-(7-Methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl)amino)benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	2-(((1R)-1-(7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl)ethyl)amino)benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	2-({(1R)-1-[7-Methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	4urk	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	2-[[(1r)-1-(7-Methyl-2-Morpholin-4-Yl-4-Oxidanylidene-Pyrido[1,2-A]pyrimidin-9-Yl)ethyl]amino]benzoic Acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	UNII-78G6MP5PZ5	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	MLS006010986	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	GTPL8059	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	SCHEMBL1812377	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	CHEBI:91359	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	DTXSID00657619	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	KIN 193	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	KIN-193	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	ACT06822	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	EX-A1807	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	BDBM50395821	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	MFCD16659062	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	NSC799349	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	s1462	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	ZINC38628584	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	AKOS015935014	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	BCP9000355	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	CCG-268743	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	CS-0086	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	DB14980	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	NSC-799349	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	NCGC00263154-01	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	AC-32792	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	AS-74808	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	HY-10344	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	SMR004702788	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	SW219187-1	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	J-507622	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	BRD-K58772419-001-01-3	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	Q27074771	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	(-) 2-{[(1R)-1-(7-Methyl-2-morpholin-4-yl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino}benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	(-)-2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid	PC_44137675
C22H24N4O4	408.4	Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	Benzoic acid, 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]-	PC_44137675
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	639089-54-6	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-680	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	MK-0457	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX 680	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	MK 0457	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX680	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib (VX-680)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-680 (MK-0457,Tozasertib)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib (USAN)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib [USAN]	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-68	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	MK-045	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	L-001281814	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	CHEMBL572878	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	936915-58-1	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-(4-(4-(3-methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-[4-[[4-(4-Methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX6	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	234335M86K	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Cyclopropanecarboxamide, N-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Cyclopropanecarboxamide,N-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Cyclopropanecarboxylic Acid {4-[4-(4-Methyl-Piperazin-1-Yl)-6-(5-Methyl-2h-Pyrazol-3-Ylamino)-Pyrimidin-2-Ylsulfanyl]-Phenyl}-Amide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-(4-((4-((5-methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)thio)phenyl)cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	(N-[4({4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5 -yl)amino]pyrimidin-2-yl}thio)phenyl]cyclopropanecarboxamide)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Cyclopropanecarboxamide, N-(4-((4-(4-methyl-1-piperazinyl)-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)thio)phenyl)-	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-(4-((4-(4-Methylpiperazin-1-yl)-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)sulfanyl)phenyl)cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib [USAN:INN]	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	UNII-234335M86K	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VE 465	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-680 (MK-0457, Tozasertib)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Kinome_3803	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	2f4j	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	TOZASERTIB [INN]	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib (MK-0457)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	TOZASERTIB [WHO-DD]	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Cyclopropanecarboxylic acid N-(4-((4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl)sulfanyl)phenyl)amide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	MLS001065920	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	SCHEMBL614528	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	GTPL5718	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BDBM13534	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	CHEBI:91336	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	DTXSID10213609	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BCPP000017	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS2043N07	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS2198F22	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3244O19	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3244O20	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3244P19	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3265C21	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3265C22	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3265D21	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3265D22	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3654I11	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HMS3750O19	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	ACT03970	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BCP01859	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	EX-A2179	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib(MK-0457,VX-680)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	ZINC3820040	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BDBM50004205	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	MFCD13185152	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	NSC745967	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	NSC800955	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	s1048	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-680; Tozasertib; MK-0457	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	AKOS015902930	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	CCG-264793	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	CS-0007	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	NSC-745967	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	NSC-800955	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	SB19302	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Tozasertib (VX-680, MK-0457)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-680 (Tozasertib, MK-0457)	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-680 - MK0457 - Tozasertib	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	NCGC00168110-01	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	NCGC00168110-02	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	NCGC00168110-05	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	AM808097	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	AS-18632	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Cyclopropane carboxylic acid{4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}-amide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	HY-10161	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	SMR000486395	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	VX-680, MK-0457, TOZASERTIB	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	FT-0652724	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	SW212828-2	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	EC-000.2365	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	A19417	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	D08279	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	EN300-6743235	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	089V546	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	J-523024	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Q6605919	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BRD-K59369769-001-02-1	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BRD-K59369769-001-09-6	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BRD-K59369769-001-12-0	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BRD-K59369769-001-14-6	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	BRD-K87947369-001-01-6	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}-amide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	cyclopropane carboxylic acid(4-(4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-ylsulfanyl)phenyl)amide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	Cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-1H-pyrazol-3-ylamino)-pyrimidin-2	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-[4-({4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide	PC_5494449
C23H28N8OS	464.6	Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N	N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide	PC_5494449
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MG-132	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	133407-82-6	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-Leu-leu-leu-al	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MG132	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MG 132	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Zlllal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-Leu-leu-leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-LLL-CHO	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Zlll-cho	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-Leu-Leu-Leu-H	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Carbobenzoxy-leucyl-leucyl-leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Benzyloxycarbonylleucyl-leucyl-leucine aldehyde	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Benzyloxycarbonyl-leu-leu-leu-aldehyde	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Benzyloxycarbonyl-leucyl-leucyl-leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Carbobenzoxyl-leucinyl-leucinyl-leucinal-H	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Cbz-Leu-Leu-Leu-H	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Benzyl ((S)-4-methyl-1-(((S)-4-methyl-1-(((S)-4-methyl-1-oxopentan-2-yl)amino)-1-oxopentan-2-yl)amino)-1-oxopentan-2-yl)carbamate	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	RF1P63GW3K	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	CHEMBL64925	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Cbz-L-Leu-L-Leu-L-Leu-CHO	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	CHEBI:75142	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	(S)-MG132	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Lll cpd	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	n-benzyloxycarbonyl-l-leucyl-l-leucyl-l-leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	(S)-N-((Phenylmethoxy)carbonyl)-L-leucyl-N-(1-formyl-3-methylbutyl)-L-leucinamide	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	N-[(Benzyloxy)carbonyl]-L-Leucyl-N-[(2s)-4-Methyl-1-Oxopentan-2-Yl]-L-Leucinamide	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	N-[(Phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-L-leucinamide	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	benzyl (S)-4-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD0970	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD-0970	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-LLL	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	C26H41N3O5	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-Leu-Leu-Leu-aldehyde	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	UNII-RF1P63GW3K	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Carbobenzoxy-L-leucyl-L-leucyl-L-leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-L-leucinamide	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-LLL-aldehyde	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	1211877-36-9	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-pentan-2-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-LLLal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MFCD00674886	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Cbz-Leu-Leu-Leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-LLL-H	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-L-leu-L-leu-L-leu-H	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BSPBio_001310	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	carbobenzoxy-Leu-Leu-leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	KBioGR_000030	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	KBioSS_000030	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MLS006011220	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Cbz-L-Leu-L-Leu-L-Leu-H	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	SCHEMBL160925	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	GTPL8616	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	DTXSID3042639	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BCBcMAP01_000028	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	KBio2_000030	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	KBio2_002598	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	KBio2_005166	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	KBio3_000059	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	KBio3_000060	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	benzyloxycarbonyl-Leu-Leu-leucinal	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Bio2_000030	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Bio2_000510	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	HMS1361B12	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	HMS1791B12	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	HMS1989B12	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	HMS3402B12	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	AMY40914	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	EX-A1500	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BDBM50069985	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	NSC782153	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	PI-102	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	s2619	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	ZINC13476439	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	AKOS027420457	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MG-132 [Z-Leu- Leu-Leu-CHO]	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	CCG-207860	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	CCG-208036	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	CS-0471	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	NSC-782153	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	compound 5b [PMID: 16686537]	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	IDI1_033780	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	s10322	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	NCGC00161679-01	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	NCGC00161679-02	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	NCGC00161679-03	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	NCGC00161679-04	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	NCGC00161679-13	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Z-Leu-Leu-Leu-al, >=90% (HPLC)	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	AS-55854	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	HY-13259	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	SMR002530629	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	SW219780-1	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	UNM000011053701	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	A806612	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	Q3272916	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	SR-01000864598-1	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD-K60230970-001-04-3	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD-K60230970-001-05-0	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD-K60230970-001-06-8	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD-K60230970-001-07-6	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD-K60230970-001-08-4	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	BRD-K60230970-001-10-0	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MG-132 - CAS 133407-82-6	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	MG-132, >/=95% by HPLC - CAS 133407-82-6	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	L-Leucinamide, N-((phenylmethoxy)carbonyl)-L-leucyl-N-((1S)-1-formyl-3-methylbutyl)-	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	L-Leucinamide, N-((phenylmethoxy)carbonyl)-L-leucyl-N-(1-formyl-3-methylbutyl)-, (S)-	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N1-[(1S)-1-formyl-3-methylbutyl]-	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	(S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic acid [(S)-1-((S)-1-formyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-amide	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	{(S)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	{1-[(S)-(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	{1-[1-(1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	benzyl N-[(1S)-1-[[(1S)-1-[[(1S)-1-formyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	benzyl(S)-4-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate	PC_462382
C26H41N3O5	475.6	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	phenylmethyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate	PC_462382
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venetoclax	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	1257044-40-8	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	ABT-199	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venclexta	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	GDC-0199	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	ABT199	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	ABT 199	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	RG7601	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venetoclax (ABT199)	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	GDC 0199	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	RG-7601	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venetoclax; Abt-199	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venetoclax (ABT-199)	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	N54AIC43PW	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	ABT-199 (GDC-0199)	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-n-((3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	venclyxto	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	BDBM189459	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	UNII-N54AIC43PW	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venetoclax [USAN:INN]	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venclexta (TN)	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	VENETOCLAX [MI]	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venetoclax(ABT-199)	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	VENETOCLAX [INN]	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	VENETOCLAX [JAN]	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	VENETOCLAX [USAN]	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	VENETOCLAX [WHO-DD]	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	MLS006010298	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	SCHEMBL523816	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Venetoclax (JAN/USAN/INN)	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	AMY343	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	GTPL8318	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	CHEMBL3137309	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	SCHEMBL19236295	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	VENETOCLAX [ORANGE BOOK]	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	BDBM60828	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	DTXSID30154863	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	EX-A168	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	CHEBI:133021	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	HMS3653J06	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	HMS3745E07	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	BCP06811	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	BDBM50162774	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	MFCD23160052	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	NSC766270	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	AKOS025289539	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	ZINC150338755	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	CCG-270543	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	CS-1155	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	DB11581	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	KS-1470	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	NSC-766270	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	SB16499	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	NCGC00345789-01	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	NCGC00345789-05	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	NCGC00345789-10	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	NCGC00345789-11	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	AC-28754	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	DA-35360	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	HY-15531	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	SMR004701366	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	FT-0699586	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	S8048	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	SW219672-1	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	J3.516.625D	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	D10679	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	US9174982, 5	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	EN300-7399830	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	A850921	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	US9174982, 369	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	J-005269	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	Q23671272	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-((TETRAHYDRO-2HPYRAN-4-YLMETHYL) AMINO)PHENYL)SULFONYL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide	PC_49846579
C45H50ClN7O7S	868.4	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N	4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl	PC_49846579
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	ZSTK474	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	475110-96-4	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	ZSTK-474	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	4,4'-(6-(2-(Difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	ZSTK 474	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	TCMDC-137004	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	CHEMBL586702	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	CHEBI:90545	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	K0068GK39A	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	2-(2-difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	2-(Difluoromethyl)-1-(4,6-Dimorpholin-4-Yl-1,3,5-Triazin-2-Yl)-1h-Benzimidazole	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	2wxl	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	UNII-K0068GK39A	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	SCHEMBL373282	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	GTPL7965	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	DTXSID30197179	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	BCPP000001	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	HMS2043A02	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	HMS3265I19	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	HMS3265I20	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	HMS3265J19	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	HMS3265J20	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	HMS3654I15	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	BCP01867	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	EX-A2207	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	ZINC1912926	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	BDBM50315213	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	MFCD08705334	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	NSC764516	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	NSC800993	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	AKOS005145982	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	CCG-264806	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	CS-0083	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	DB12904	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	EX-3329	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	NSC-764516	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	NSC-800993	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	SB17043	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	NCGC00346484-01	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	NCGC00346484-08	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	AC-28418	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	AS-16245	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	HY-50847	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	ETHYL3-BROMOTHIOPHENE-2-CARBOXYLATE	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	FT-0651454	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	S1072	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	SW220182-1	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	EC-000.2321	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	F15198	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	110Z964	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	J-513955	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	BRD-K63068307-001-01-4	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	Q27089303	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	1-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-benzimidazole	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	2-(difluoromethyl)-1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-benzo[d]imidazole;ZSTK474	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	2-(difluoromethyl)-1-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]benzimidazole	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	4,4''-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	4,4-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine	PC_11647372
C19H21F2N7O2	417.4	FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N	ZS4	PC_11647372
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	PHA-793887	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	718630-59-2	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	PHA 793887	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	MKS45S912B	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	CHEMBL1230607	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	718630-59-2 (free base)	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	PHA793887	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	N-(6,6-Dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo(3,4-C)pyrazol-3-yl)-3-methylbutanamide	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	Butanamide, 3-methyl-N-(1,4,5,6-tetrahydro-6,6-dimethyl-5-((1-methyl-4-piperidinyl)carbonyl)pyrrolo(3,4-C)pyrazol-3-yl)-	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	N-{6,6-Dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	UNII-MKS45S912B	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	MLS006010173	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	SCHEMBL5110328	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	CHEBI:91371	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	DTXSID50222134	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	BCPP000110	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	HMS3265M13	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	HMS3265M14	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	HMS3265N13	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	HMS3265N14	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	HMS3654B16	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	BCP02036	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	EX-A2134	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	BDBM50378657	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	NSC800851	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	ZINC52509437	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	AKOS015995002	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	CCG-264898	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	DB12686	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	NSC-800851	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	SB19463	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	NCGC00263168-01	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	NCGC00263168-04	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	NCGC00263168-06	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	AC-32848	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	AS-19371	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	HY-11001	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	SMR004701281	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	DB-074487	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	FT-0660374	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	S1487	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	SW220252-1	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	J3.661.625C	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	C76289	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	J-512917	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	BRD-K64800655-001-01-7	PC_46191454
C19H31N5O2	361.5	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N	Q27163237	PC_46191454
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Ispinesib	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	336113-53-2	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Ispinesib (SB-715992)	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	SB-715992	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Ispinesib [INN]	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	SB 715992	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Ispinesib mesilate	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	BKT5F9C2NI	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	(R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methylbenzamide	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	SB715992	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	CHEMBL2347651	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	UNII-BKT5F9C2NI	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	CK 0238273	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	G7X	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	N-(3-Aminopropyl)-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	ISPINESIB [WHO-DD]	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Ispinesib; SB-715992	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Ispinesib - SB-715992	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	CHEMBL228814	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	SCHEMBL3582165	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	CHEBI:94692	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	DTXSID20187307	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	BCPP000200	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	BCP02450	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	EX-A2078	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	BDBM50382559	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	BDBM50431891	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	NSC755386	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	NSC820548	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	s1452	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	ZINC11680799	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	AKOS025147361	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	BCP9000797	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	CCG-264892	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	CS-0891	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	DB06188	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	NSC-755386	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	NSC-820548	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	NCGC00263174-01	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	AC-32851	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	AS-56089	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	HY-50759	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Ispinesib,SB-715992, CK0238273	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	SW219747-1	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	C74727	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	J-019272	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	J-521615	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	BRD-K64881305-001-01-1	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Q27166496	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	(R)-N-(3-amino-propyl)-N-[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propyl]-4-methyl-benzamide	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	(R)-N-(3-amino-propyl)-N-[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propyl]4-methyl-benzamide	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Benzamide, N-(3-aminopropyl)-N-((1R)-1-(7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl)-2-methylpropyl)-4-methyl-	PC_6851740
C30H33ClN4O2	517.1	Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N	n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide	PC_6851740
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	905586-69-8	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AZ 960	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AZ-960	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AZ960	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	M63IS9PTJF	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	(S)-5-fluoro-2-((1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)nicotinonitrile	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	CHEMBL1774055	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	3-Pyridinecarbonitrile, 5-fluoro-2-(((1S)-1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)-	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	5-Fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-pyridinecarbonitrile	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	5-fluoro-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	UNII-M63IS9PTJF	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	MLS006011063	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	GTPL8476	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	SCHEMBL14840365	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	DTXSID60238201	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	BCPP000371	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	BCP27683	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	EX-A1802	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AZ 960;AZ960	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	BDBM50343725	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	s2214	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	ZINC43205072	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AKOS027420925	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	BCP9000348	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	CCG-268082	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	CS-6209	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	NCGC00346581-01	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	NCGC00346581-02	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	NCGC00346581-04	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	NCGC00346581-06	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AC-32981	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AS-74896	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	HY-10411	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	SMR004702855	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	SW219623-1	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	A19389	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	C77068	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	586F698	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	J-502242	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	Q27074679	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	(R)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino) nicotinonitrile	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	(S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile;AZ 960	PC_25099184
C18H16F2N6	354.4	Cc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	SUNXHXDJOIXABJ-NSHDSACASA-N	AZ960, 5-Fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-pyridinecarbonitrile, 5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile	PC_25099184
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AZD1480	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	935666-88-9	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AZD-1480	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AZD 1480	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	UNII-KL2Z2TLF01	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	(S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	KL2Z2TLF01	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	CHEMBL1231124	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	5-Chloro-N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(5-Methyl-1h-Pyrazol-3-Yl)pyrimidine-2,4-Diamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyrimidinyl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)-	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	C14H14ClFN8	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	2xa4	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	MLS006011153	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	GTPL5933	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	SCHEMBL3345019	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	DTXSID50239469	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	EX-A450	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AZD 1480 [WHO-DD]	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	BCPP000361	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	BCP02413	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AZD1480,AZD 1480	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	BDBM50335201	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	NSC756648	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	NSC799344	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	s2162	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	ZINC58631551	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AKOS027322548	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AM85979	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	BCP9000361	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	CCG-268021	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	DB12588	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	NSC-756648	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	NSC-799344	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	NCGC00242486-01	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	NCGC00242486-02	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	NCGC00242486-05	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	2,4-Pyrimidinediamine,5-chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	5-Chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AC-32807	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AS-17011	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	HY-10193	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	SMR004702927	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	SW219486-1	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	J3.540.767G	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	J-502241	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	Q27074711	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	935666-88-9, 1260222-79-4 (TFA)	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	(R)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	5-chloro-N~2~-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N~4~-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	5-Chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidine-2,4-diamine	PC_16659841
C14H14ClFN8	348.76	Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	PDOQBOJDRPLBQU-QMMMGPOBSA-N	AZ5	PC_16659841
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Pevonedistat	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	MLN4924	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	MLN-4924	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	905579-51-3	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	MLN 4924	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Pevonedistat (MLN-4924)	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	((1S,2S,4R)-4-(4-(((S)-2,3-dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxycyclopentyl)methyl sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	MLN-4924003	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	S3AZD8D215	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	905579-51-3 (free base)	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Pevonedistat (USAN)	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	PEVONEDISTAT [USAN]	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	[(1s,2s,4r)-4-{4-[(1s)-2,3-Dihydro-1h-Inden-1-Ylamino]-7h-Pyrrolo[2,3-D]pyrimidin-7-Yl}-2-Hydroxycyclopentyl]methyl Sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Sulfamic acid [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl ester	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	((1S,2S,4R)-4-(4-((1S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-2-hydroxycyclopentyl)methyl sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Sulfamic acid, ((1S,2S,4R)-4-(4-(((1S)-2,3-dihydro-1H-inden-1-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-2-hydroxycyclopentyl)methyl ester	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Pevonedistat [USAN:INN]	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	pevonedistatum	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	UNII-S3AZD8D215	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	3gzn	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	((1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl)methyl sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	B39	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Pevonedistat; MLN4924	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	PEVONEDISTAT [INN]	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	((1S,2S,4R)-4-(4-((1S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-2-hydroxycyclopentyl)methyl sulphamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	MLS006010830	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	PEVONEDISTAT [WHO-DD]	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	SCHEMBL192875	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	TAK924	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	CHEMBL1231160	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	CHEBI:95028	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	GTPL12117	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	TAK-924	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	CHEBI:145535	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	DTXSID701022549	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	EX-A1472	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	BDBM50285607	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	NSC793435	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	ZINC58660702	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	AKOS025401927	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	CS-0348	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	DB11759	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	NSC-793435	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	NCGC00345794-02	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	NCGC00345794-07	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	NCGC00345794-10	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	[(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	[(1S,2S,4R)-4-{4-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-7H-pyrrolo [2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	4-(4-((1S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-2-hydroxycyclopentyl methyl sulfamidate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	AC-27394	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	HY-70062	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	SMR004701757	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	D10413	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	BRD-K67844266-001-01-3	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	Q27166792	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	((1S,2S,4R)-4-(4-(((1S)-2,3-DIHYDRO-1H-INDEN-1-YL)AMINO(-7H-PYRROLO(2,3-D)PYRIMIDIN-7-YL)-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	((1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxycyclopentyl)methyl sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	((1S,2S,4R)-4-{4-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]-pyrimidin-7-yl}-2-hydroxycyclopentyl)methyl sulfamate	PC_16720766
C21H25N5O4S	443.5	NS(=O)(=O)OCC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O	C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-QXGSTGNESA-N	[(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxy-cyclopentyl]methyl sulfamate	PC_16720766
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PI-103	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	371935-74-9	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PI103	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(4-morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PI 103	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PIK-103	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	UNII-YQX02F616F	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	Phenol, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	YQX02F616F	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	CHEBI:90524	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	371935-74-9 (free base)	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-[4-(4-Morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PI-103 hydrobromide	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(4-(4-Morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(4-Morpholin-4-Ylpyrido[3',2':4,5]furo[3,2-D]pyrimidin-2-Yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	X6K	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PI 103 hydrobromide	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	Kinome_3597	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	2x6k	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PI 3-K Inhibitor V	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	mTOR Inhibitor, PI103	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PI-103 HCl	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	MLS006010988	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	SCHEMBL258242	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	CHEMBL573339	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	GTPL5701	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	BDBM25045	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	cid_9884685	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	DTXSID40190676	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	EX-A039	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	PIK 103	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	4l23	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	pyridofuropyrimidine derivative, 2	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	BCPP000107	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HMS3229C15	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HMS3244E11	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HMS3244E12	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HMS3244F11	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HMS3295E19	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HMS3650M10	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HMS3654E09	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	AMY23717	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	BCP01923	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	BCP19373	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	ZINC3963016	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	MFCD11983145	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NSC759676	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NSC776996	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	s1038	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	AKOS024462563	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	CCG-101301	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	compound 2 [PMID: 17601739]	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	CS-0127	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NSC-759676	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NSC-776996	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NCGC00187906-01	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NCGC00187906-02	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NCGC00187906-03	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	NCGC00187906-15	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	AC-31514	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	AS-16221	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	HY-10115	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	SMR002530603	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	FT-0712341	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	SW218117-2	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	EC-000.2123	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	935P749	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	SR-01000946304	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	SR-01000946304-1	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	BRD-K67868012-003-01-5	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	Q27088379	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(4-(4-morpholinyl)pyrido[3?,2?:4,5]furo[3,2-d]pyrimidin-2- yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-(4-morpholin-4-ylpyrido[3 ,2 :4,5]furo[3,2-d]pyrimidin-2-yl)phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol	PC_9884685
C19H16N4O3	348.4	Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-4-yl]phenol	PC_9884685
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	Torin 2	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	1223001-51-1	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	Torin2	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	Torin-2	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-AMINOPYRIDIN-3-YL)-1-(3-(TRIFLUOROMETHYL)PHENYL)BENZO[H][1,6]NAPHTHYRIDIN-2(1H)-ONE	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-AMINO-3-PYRIDINYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-BENZO[H]-1,6-NAPHTHYRIDIN-2(1H)-ONE	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	CHEMBL1765602	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	CHEBI:90682	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-Aminopyridin-3-Yl)-1-[3-(Trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-One	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)-phenyl)benzo[h][1,6]naphthyridin-2(1H)-one	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	C24H15F3N4O	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	17G	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h]-1,6-naphthyridin-2(1H)-one	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	MLS006011167	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	GTPL8839	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	SCHEMBL6876328	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	DTXSID00679917	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	EX-A431	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	HMS3265O05	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	HMS3265O06	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	HMS3265P05	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	HMS3265P06	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	HMS3651N13	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	BCP02612	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	BDBM50341209	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	MFCD18782652	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	NSC775727	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	s2817	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	ZINC71318831	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	AKOS024458055	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	CCG-265003	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	CS-0236	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	NSC-775727	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	PB34957	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	NCGC00263216-01	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	NCGC00263216-02	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	NCGC00263216-09	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	NCGC00263216-13	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-AMINO-PYRIDIN-3-YL)-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-BENZO[H][1,6]NAPHTHYRIDIN-2-ONE	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	AC-31520	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	AS-74405	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	HY-13002	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	SMR004702936	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	DB-084736	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	FT-0700124	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	SW218309-2	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	A846902	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	J-519481	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	BRD-K68174511-001-01-7	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	Q27089008	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-amino-3-pyridyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-Amino-3-pyridinyl)-1-[3-(trifl uoromethyl)phenyl]-benzo[h]-1,6-naphthyridin-2(1H) -one	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	9-(6-AMINOPYRIDIN-3-YL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H-BENZO[H]1,6-NAPHTHYRIDIN-2-ONE	PC_51358113
C24H15F3N4O	432.4	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F	GUXXEUUYCAYESJ-UHFFFAOYSA-N	BENZO[H]-1,6-NAPHTHYRIDIN-2(1H)-ONE, 9-(6-AMINO-3-PYRIDINYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-	PC_51358113
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	vinorelbine	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	71486-22-1	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Vinorelbine base	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Navelbine	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Vinorelbinum	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Exelbine	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Vinorelbina	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Navelbin	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Nor-5'-anhydrovinblastine	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Vinorelbine (INN)	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Vinorelbinum [Latin]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Vinorelbina [Spanish]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Navelbine base	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	CHEBI:480999	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Q6C979R91Y	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	C'-Norvincaleukoblastine, 3',4'-didehydro-4'-deoxy-	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	NSC-760087	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	KW-2307 base	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	VINORELBINE [INN]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Navelbine (TN)	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Eunades	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Vinorelbine [INN:BAN]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	KW 2307 base	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	SR-05000001504	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	UNII-Q6C979R91Y	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	HSDB 7665	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	ANX-530	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	SDP-012	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	5'-Noranhydrovinblastine	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	VINORELBINE [MI]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	VINORELBINE [HSDB]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	VINORELBINE [VANDF]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	SCHEMBL4765	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	VINORELBINE [WHO-DD]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	CHEMBL553025	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	GTPL7105	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	DTXSID8040640	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	VINORELBINE [ORANGE BOOK]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	HMS2090E13	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	ZINC85536958	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	AKOS024457606	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	CCG-208616	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	DB00361	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	NSC 760087	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	NCGC00165966-03	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	FT-0657343	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	4-DEOXY-3,4-DIDEHYDROVINCALEUKOBLASTINE	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	D08680	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	AB01275493-01	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	AB01566877_01	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	486V221	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	EN300-19767066	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	SR-05000001504-1	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	SR-05000001504-2	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	VINORELBINE TARTRATE IMPURITY J [EP IMPURITY]	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 4-(ACETYLOXY)-6,7-DIDEHYDRO-15-((2R,6R,8S)-4-ETHYL-1,3,6,7,8,9-HEXAHYDRO-8-(METHOXYCARBONYL)-2,6-METHANO-2H-AZECINO(4,3-B)INDOL-8-YL)-3-HYDROXY-16-METHOXY-1-METHYL-, METHYL ESTER, (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12R,19.ALPHA.)-	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(12S,14R)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4(9),5,7,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_5311497
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	vinorelbine	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	alocrest	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	71486-22-1	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	inx-0125	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	SCHEMBL1653160	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	SCHEMBL16786345	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	Pharmakon1600-01502272	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	NSC760087	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	NCGC00386325-01	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	NCGC00482514-01	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N	J-525161	PC_60780
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	vinorelbine	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	71486-22-1	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	BIDD:PXR0186	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	CHEMBL508875	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	SCHEMBL17131894	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	ZINC85536956	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	AKOS015894945	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	CS-0212	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	HY-12053	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-JKVZWNDSSA-N	BRD-K97514127-045-01-2	PC_13200033
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	vinorelbine	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	71486-22-1	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	methyl 4-(acetyloxy)-15-[4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	Vinblastine Impurity K	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	CHEBI:93786	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	DTXSID20860926	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	LSM-4297	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	STL450984	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	AKOS030228758	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-UHFFFAOYSA-N	Q27165488	PC_5672
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	vinorelbine	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	Vinorelbine Ditartarate	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	Vinorelbinum [Latin]	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	Vinorelbina [Spanish]	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	Vinorelbin	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	71486-22-1	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	2-HYDROXY-2,4,4,5,6-PENTAMETHOXYCHALCONE	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-GHYRFKGUSA-N	methyl (1R,9R,10R,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(12S,14R)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate	PC_44424639
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)(C([C@@](C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BNOAFZRRSA-N	vinorelbine	PC_71296871
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)(C([C@@](C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BNOAFZRRSA-N	KW-2307 base	PC_71296871
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](C=CC9)(C([C@@](C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BNOAFZRRSA-N	71486-22-1	PC_71296871
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-SULIYOFUSA-N	vinorelbine	PC_73265388
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-SULIYOFUSA-N	CHEMBL3545879	PC_73265388
C45H54N4O8	778.9	CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-SULIYOFUSA-N	ZINC245204699	PC_73265388
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Masitinib	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	790299-79-5	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AB1010	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Masatinib	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Masitinib (AB1010)	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AB-1010	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Masitinib [INN]	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AB 1010	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	masican	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Kinavet	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Masiviera	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	M59NC4E26P	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	N-(4-Methyl-3-((4-(pyridin-3-yl)thiazol-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	CHEMBL1908391	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	CHEBI:63450	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Masitinib (INN)	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	MFCD09954132	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-((4-Methylpiperazin-1-yl)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)-1,3-thiazol-2-yl)amino)phenyl)benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Kinavet CA-1	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	masitinib methanesulfonate	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	UNII-M59NC4E26P	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Mastinib	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-((4-METHYLPIPERAZIN-1-YL)METHYL)-N-(4-METHYL-3-((4-PYRIDIN-3-YL-1,3-THIAZOL-2-YL)AMINO)PHENYL)BENZAMIDE	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	G65	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	MASITINIB [MI]	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	MASITINIB [MART.]	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	MASITINIB [WHO-DD]	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	MLS006010167	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Masican (proposed trade name)	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	SCHEMBL717239	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	GTPL5656	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	EX-A080	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	DTXSID001000207	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	HMS3244J04	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	HMS3244J08	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	HMS3244J12	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	HMS3295G03	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	HMS3654I13	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	HMS3884E03	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AMY14908	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	BCP01820	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	BDBM50355495	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NSC755400	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NSC800789	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	s1064	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	ZINC34177219	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AKOS005146325	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AC-1908	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	BCP9000897	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	CCG-269680	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	CS-0134	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	DB11526	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	GS-6164	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NSC-755400	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NSC-800789	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	SB14844	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NCGC00241103-01	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NCGC00241103-03	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NCGC00241103-04	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NCGC00241103-06	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	NCGC00241103-09	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AC-30632	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	HY-10209	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	N-[4-Methyl-3-[[4-(3-Pyridyl)-2-thiazolyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	SMR004701275	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	SY259010	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	FT-0652399	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	SW219247-1	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	EC-000.2316	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	D10229	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AB01274735-01	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	AB01274735_02	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	299M795	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	A839556	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Q-201339	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	Q1907109	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	BRD-K71035033-001-01-4	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-thiazol-2-ylamino) -phenyl]-benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-thiazol-2-ylamino)-phenyl]-benzamide	PC_10074640
C28H30N6OS	498.6	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N	4-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}phenyl)benzamide	PC_10074640
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SNX-2112	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	908112-43-6	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-((1r,4r)-4-hydroxycyclohexylamino)benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SNX 2112	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	PF-04928473	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SNX2112	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	10C9P3FFOW	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	CHEMBL560895	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	CHEMBL561224	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-(((1r,4r)-4-hydroxycyclohexyl)amino)benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SNX-2112 (PF-04928473)	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	945626-71-1	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	Benzamide, 2-((trans-4-hydroxycyclohexyl)amino)-4-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl)-	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-(6,6-dimethyl-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(trans-4-hydroxy-cyclohexylamino)-benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	UNII-10C9P3FFOW	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	E0G	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4nh7	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	PF 04928473	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	MLS006011082	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SCHEMBL1219380	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SCHEMBL1219382	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SCHEMBL1221195	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SCHEMBL12685879	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SCHEMBL22667486	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	DTXSID601025695	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	HMS3656P07	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	AMY24162	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	BCP02907	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	EX-A2375	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	BDBM50450704	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	BDBM50480401	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	MFCD16038907	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	pf-4928473	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	s2639	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	ZINC36741071	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	AKOS032947229	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	ZINC100015966	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	ZINC102249129	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	CCG-269392	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	CS-0481	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SB19446	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	NCGC00346633-01	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	NCGC00386182-02	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	AC-36048	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	AS-75100	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	HY-10214	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SMR004702870	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	BCP0726000309	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	FT-0660383	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SW219742-1	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	C77089	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	SNX-2112; PF-04928473	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	A903360	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	J-513608	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	BRD-K71281111-001-01-9	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	Q27251134	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	Q27461098	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-(6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-((trans-4-hydroxycyclohexyl)amino)benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-(6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-(trans-4-hydroxycyclohexylamino)benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	HIE	PC_24772860
C23H27F3N4O3	464.5	CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	PF 04928473; PF-04928473; PF04928473;4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-(((1r,4r)-4-hydroxycyclohexyl)amino)benzamide;4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-(((1r,4r)-4-hydroxycyclohexyl)amino)benzamide	PC_24772860
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	Ipatasertib	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	GDC-0068	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	1001264-89-6	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	Ipatasertib (GDC-0068)	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	RG7440	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	RG-7440	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	GDC0068	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	GDC 0068	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	524Y3IB4HQ	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	(S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	CHEMBL2177390	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	RG 7440	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	(2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl(-3-((propan-2-yl)amino)propan-1-one	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	(2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-1-propanone	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, (2S)-	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	(2s)-2-(4-Chlorophenyl)-1-{4-[(5r,7r)-7-Hydroxy-5-Methyl-6,7-Dihydro-5h-Cyclopenta[d]pyrimidin-4-Yl]piperazin-1-Yl}-3-(Propan-2-Ylamino)propan-1-One	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	Ipatasertib [INN]	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	Ipatasertib [USAN:INN]	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	UNII-524Y3IB4HQ	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	GDC-0068 (RG7440)	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	MFCD22124514	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)-	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	GDC0068 di-HCl	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	Ipatasertib (USAN/INN)	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	IPATASERTIB [USAN]	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	GDC-0068 di-HCl	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	Ipatasertib; GDC-0068	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	RG-7440 di-HCl	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	IPATASERTIB [WHO-DD]	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	SCHEMBL191659	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	GTPL7887	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	CHEBI:95089	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	DTXSID101025595	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	EX-A2077	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	BDBM50398379	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC767898	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC781451	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC800986	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC832484	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	s2808	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	ZINC68250459	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	AKOS025396463	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	BCP9000712	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	CCG-269312	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	CS-0975	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	DB11743	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC-767898	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC-781451	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC-800986	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NSC-832484	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	NCGC00346714-01	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	2-(4-chlorophenyl)-1-(4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	AC-28420	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	AS-17027	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	HY-15186	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	BCP0726000195	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	J3.478.537F	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	D10641	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	Q27078088	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one	PC_24788740
C24H32ClN5O2	458.0	CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	GRZXWCHAXNAUHY-NSISKUIASA-N	0RF	PC_24788740
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	602306-29-6	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AZD5438	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AZD 5438	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AZD-5438	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	CHEMBL488436	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	MMV676604	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	2-Pyrimidinamine,4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	276Z913G29	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-(1-isopropyl-2-methyl-1h-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]pyrimidin-2-amine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	FB8	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-[2-METHYL-1-ISOPROPYL-1H-IMIDAZOL-5-YL]-N-[4-(METHYLSULFONYL)PHENYL]-2-PYRIMIDINAMINE	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	MLS006011033	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	GTPL8473	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	SCHEMBL5092360	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	CHEBI:91419	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AMY2766	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	EX-A069	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	BCPP000368	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	DTXSID501025680	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	HMS3295K15	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	HMS3656B05	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	HMS3750K15	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	UNII-276Z913G29	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	ACT06825	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	BCP02271	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AZD5438,AZD 5438	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	BDBM50246253	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	NSC799348	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	s2621	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	ZINC40442496	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AKOS005145565	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	BCP9000353	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	CCG-268315	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	EX-8669	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	NSC-799348	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	SB19462	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	NCGC00346617-01	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	NCGC00346617-09	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AC-30292	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	AS-56007	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	HY-10012	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	SMR004700644	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	FT-0724554	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	SW219680-1	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	A24976	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	306P296	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	SR-05000022535	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	J-514234	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	SR-05000022535-1	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	BRD-K72414522-001-02-6	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	Q27074758	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-(1-isopropyl-2-methylimidazol-5-yl)-2-(4-mesylanilino)pyrimidine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(methylsulphonyl)anilino]pyrimidine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	2-Pyrimidinamine, 4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-     (methylsulfonyl)phenyl)-	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	2-PYRIMIDINAMINE, 4-(2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL)-N-(4-(METHYLSULFONYL)PHENYL)-	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4- (methylsulfonyl)phenyl)-2-pyrimidinamine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-[2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine	PC_16747683
C18H21N5O2S	371.5	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N	4-[2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine and N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine	PC_16747683
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	331771-20-1	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	ZM-447439	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	ZM 447439	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	ZM447439	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-[4-[[6-METHOXY-7-[3-(4-MORPHOLINYL)PROPOXY]-4-QUINAZOLINYL]AMINO]PHENYL]BENZAMIDE	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-(4-((6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl)amino)phenyl)benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	TCMDC-125873	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	CHEMBL202721	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	RSN3P9776R	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	C29H31N5O4	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	Benzamide, N-(4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)phenyl)-	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-[4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)phenyl]benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-(4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinazolin-4-Yl]amino}phenyl)benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-[4-[[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]phenyl]benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	UNII-RSN3P9776R	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-(4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)phenyl)benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	Kinome_3319	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	NCGC00159574-01	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	MLS006010133	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	SCHEMBL597105	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	GTPL8353	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	BDBM14210	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	CHEBI:91376	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	DTXSID00186833	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	BCPP000002	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	HMS3269E21	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	HMS3295A17	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	HMS3413O12	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	HMS3654I21	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	HMS3677O12	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	BCP02615	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	EX-A2276	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	s1103	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	ZINC22067501	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	ZM 447439 [WHO-DD]	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	AKOS015919490	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	AC-8444	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	CCG-269800	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	CS-0009	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	SB19303	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	NCGC00159574-02	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	NCGC00159574-09	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	AS-16711	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	HY-10128	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	SMR004701259	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	FT-0660514	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	SW220282-1	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	EC-000.2367	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	A23228	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	C74700	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	771M201	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	ZM447439 (ZM-447439)	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	J-019068	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	J-523340	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	Q8063129	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	BRD-K72703948-001-01-0	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	BRD-K72703948-001-02-8	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)-quinazoline	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-(4-(6-Methoxy-7(3-morpholinepropoxy)quinazolin-4-ylamino)phenyl)benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-(4-(6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-ylamino)phenyl)benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-[4-[[6-Methoxy-7-[3-(4-morpholiny l)propoxy]-4-quinazolinyl]amino]phenyl]benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	N-{4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazolin-4-ylamino]-phenyl}-benzamide	PC_9914412
C29H31N5O4	513.6	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	Benzamide, N-?[4-?[[6-?methoxy-?7-?[3-?(4-?morpholinyl)?propoxy]?-?4-?quinazolinyl]?amino]?phenyl]?-	PC_9914412
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	IMD-0354	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	978-62-1	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	IMD 0354	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	IKK-2 Inhibitor V	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	IMD0354	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	TCMDC-125465	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	CHEMBL536151	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	Benzamide, N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxy-	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	76145IS906	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	Benzamide, N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	UNII-76145IS906	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	IKK2 Inhibitor V	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	MFCD00218820	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	IKK-2-inhibitor-V	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	Kinome_1864	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	MLS006011200	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	SCHEMBL129165	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	CHEBI:93310	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	DTXSID50243248	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	HMS3229F11	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	HMS3269F13	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	HMS3413J21	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	HMS3651D21	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	HMS3677J21	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	BCP22358	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	ZINC3986227	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	BDBM50430160	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NSC800773	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NSC816638	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	s2864	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	AKOS017344958	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	BCP9000777	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	CCG-268447	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	CS-4922	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NSC-800773	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NSC-816638	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	SB19541	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	3',5'-Salicyloxylidide, 5-chloro-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NCGC00165811-01	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NCGC00165811-02	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NCGC00165811-03	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	NCGC00165811-06	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	AC-32886	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	AS-71319	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	HY-10172	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	SMR004702969	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	BCP0726000026	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	IMD-0354, >=98% (HPLC), solid	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	SW219746-1	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	C77350	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	A900175	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	BRD-K74305673-001-01-3	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	Q27165022	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	5-Chloro-2-hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]benzamide	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	5-chloro-2-hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]-benzamide	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-benzamide	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	3',5'-SALICYLOXYLIDIDE, 5-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.',.ALPHA.'-HEXAFLUORO-	PC_5081913
C15H8ClF6NO2	383.67	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N	634914-41-3	PC_5081913
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	891494-63-6	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	SCH900776	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	SCH 900776	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	SCH-900776	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	MK-8776 (SCH 900776)	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	(R)-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	MK-8776	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	K2ZSF0992C	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	CHEMBL2386889	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	(R)-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3R)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	Pyrazolo(1,5-a)pyrimidin-7-amine, 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3R)-3-piperidinyl-	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	6-bromo-3-(1-methyl-1h-pyrazol-4-yl)-5-(3r)-3-piperidinylpyrazolo(1,5-a)pyrimidin-7-amine	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3R)-3-piperidinylpyrazolo[1,5-a]pyrimidin-7-amine	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	UNII-K2ZSF0992C	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	MK 8776	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	MK-8776 (SCH-900776)	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	SCHEMBL2408669	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	DTXSID00237551	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	EX-A141	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	6-BROMO-3-(1-METHYLPYRAZOL-4-YL)-5-[(3R)-PIPERIDIN-3-YL]PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	BDBM50434372	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	MFCD20922873	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	NSC800880	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	s2735	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	ZINC60328032	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	AKOS024464752	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	CCG-268365	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	CS-1117	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	DB11899	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	NSC-800880	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	NCGC00386188-01	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	NCGC00386188-03	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	AC-32854	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	AS-16307	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	HY-15532	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	SW219954-1	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	J-518349	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	(r)-(-)-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)-5-piperidin-3-yl-pyrazolo[1,5-a]pyrimidin-7-ylamine	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3R)-3-piperidinylpyrazolo[1,5-a]pyrimidin-7-amineMK-8776	PC_46239015
C15H18BrN7	376.25	Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4	GMIZZEXBPRLVIV-SECBINFHSA-N	6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-3-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine	PC_46239015
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Alisertib	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	1028486-01-2	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLN8237	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLN-8237	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLN 8237	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLN8237 (Alisertib)	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Alisertib [USAN]	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	CHEMBL483158	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	T66ES73M18	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Alisertib (USAN)	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Benzoic acid, 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Alisertib [USAN:INN]	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	UNII-T66ES73M18	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLN8237,Alisertib	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Kinome_3770	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	ALISERTIB [INN]	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Alisertib; MLN8237	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Alisertib (MLN8237)	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLN8237 - Alisertib	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	ALISERTIB [WHO-DD]	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLS006011041	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	SCHEMBL855823	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	GTPL7790	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	DTXSID30145539	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	EX-A024	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MIN8237	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	CHEBI:125628	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	HMS3654E08	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	HMS3673I07	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	HMS3743E17	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	AMY24201	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	BCP01823	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	BDBM50277545	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MFCD16621243	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	NSC759677	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	NSC799329	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	s1133	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	ZINC40939534	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	AKOS015924647	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	BCP9000956	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	CCG-264832	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	CS-0106	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	DB05220	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	MLN 8237 (Contain 10% DMSO)	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	NSC-759677	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	NSC-799329	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	SB16658	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	NCGC00263271-01	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	NCGC00263271-02	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	NCGC00263271-10	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	AC-25236	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	AS-17005	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	HY-10971	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	SMR004702834	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	FT-0672433	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	SW219771-1	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	D10085	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	J-514220	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	BRD-K75295174-001-03-5	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	Q15633917	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxy MLN 8237 (Contain 10% DMSO)	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[e]pyrimido[5,4-c]azepin-2-ylamino)-2-methoxybenzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl) -5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxy-benzoic acid	PC_24771867
C27H20ClFN4O4	518.9	COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N	A5B	PC_24771867
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	Sepantronium bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	781661-94-7	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	YM155	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	YM-155	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	Ym 155	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	YM155 (Sepantronium Bromide)	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	Sepantronium (bromide)	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphth[2,3-d]imidazolium bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	7H5Q4J1CM5	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1h-naphtho[2,3-d]imidazol-3-ium bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	3-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-1-(PYRAZIN-2-YLMETHYL)NAPHTHO[2,3-D]IMIDAZOL-1-IUM BROMIDE	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione;bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide.	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	UNII-7H5Q4J1CM5	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	Sepantronium bromide [USAN:INN]	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	sepantronii bromidum	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	bromuro de sepantronio	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	bromure de sepantronium	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	MLS006010288	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SCHEMBL727997	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	YM-155; Sepantronium bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	CHEMBL2105734	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SCHEMBL16584072	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	DTXSID90228817	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	CHEBI:139608	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	Sepantronium bromide (JAN/USAN)	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	BCPP000007	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	HMS3654A08	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SEPANTRONIUM BROMIDE [INN]	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SEPANTRONIUM BROMIDE [JAN]	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SEPANTRONIUM BROMIDE [USAN]	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	AMY10848	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	BCP01864	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	EX-A2187	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	BDBM50468263	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	MFCD11983133	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	s1130	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SEPANTRONIUM BROMIDE [WHO-DD]	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	CCG-264831	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	CS-0336	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-, bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	AC-26890	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	AS-17057	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	HY-10194	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SMR004701357	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	FT-0660380	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	SW219422-1	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	D10164	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	EN300-7406819	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	J-514184	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	Q27268284	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	Z2037281428	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-((PYRAZIN-2-YL)METHYL)-4,9-DIHYDRO-1H-NAPHTHO(2,3-D)IMIDAZOLIUM BROMIDE	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-[(PYRAZIN-2-YL)METHYL]-1H,4H,9H-NAPHTHO[2,3-D]IMIDAZOL-3-IUM BROMIDE	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1H-NAPHTH(2,3-D)IMIDAZOLIUM, 4,9-DIHYDRO-1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-(2-PYRAZINYLMETHYL)-, BROMIDE (1:1)	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	1H-Naphth[2,3-d]imidazolium,4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-,bromide (1:1)	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide	PC_11178236
C20H19BrN4O3	443.3	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	3-(2-Methoxyethyl)-2-methyl-4,9-dioxo-1-pyrazin-2-ylmethyl-4,9-dihydro-3H-naphtho[2,3-d]imidazol-1-ium bromide	PC_11178236
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Entospletinib	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	1229208-44-9	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	GS-9973	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Entospletinib [INN]	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Entospletinib (GS-9973)	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	gs9973	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	GS9973Entospletinib	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	6I3O3W6O3B	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	CHEMBL3265032	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	SYK INHIBITOR GS-9973	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	6-(1H-Indazol-6-yl)-N-(4-(morpholin-4-yl)phenyl)imidazo(1,2-a)pyrazin-8-amine	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Imidazo(1,2-a)pyrazin-8-amine, 6-(1H-indazol-6-yl)-N-(4-(4-morpholinyl)phenyl)-	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	6-(1h-Indazol-6-Yl)-N-[4-(Morpholin-4-Yl)phenyl]imidazo[1,2-A]pyrazin-8-Amine	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Entospletinib [USAN:INN]	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	UNII-6I3O3W6O3B	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	4puz	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Imidazo[1,2-a]pyrazin-8-amine, 6-(1H-indazol-6-yl)-N-[4-(4-morpholinyl)phenyl]-	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	GS 9973	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	GS-9973; Entospletinib	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Entospletinib (USAN/INN)	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	ENTOSPLETINIB [USAN]	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	ENTOSPLETINIB [WHO-DD]	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	GTPL7889	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	SCHEMBL2483776	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	DTXSID001317670	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	HMS3653D13	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	HMS3673E05	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	HMS3750E13	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	AMY14224	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	BCP09582	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	EX-A1120	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	BDBM50015448	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	MFCD28099806	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	NSC781516	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	NSC800988	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	s7523	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	ZINC98208742	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	AKOS027295322	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	CCG-264700	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	DB12121	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	NSC-781516	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	NSC-800988	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	SB16830	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	NCGC00378596-07	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	AC-30236	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	AS-17026	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	DA-36929	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	HY-15968	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	FT-0700130	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	SW220048-1	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	D11209	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	A890877	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	J-690079	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Q27077193	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	Entospletinib;6-(1H-indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine	PC_59473233
C23H21N7O	411.5	c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N	6-Cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridi nyl)phenyl]-1(2H)-isoquinolinone	PC_59473233
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CP-724714	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	383432-38-0	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CP 724714	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CP-724,714	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CP724714	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	(E)-2-methoxy-N-(3-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-6-yl)allyl)acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CHEMBL483321	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	I05QZ0S4V3	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-Methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	(E/Z)-CP-724714	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-Methoxy-N-((2E)-3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propen-1-yl)acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-Methoxy-N-[3-[4-[[3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl]amino]quinazolin-6-yl]allyl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	845680-17-3	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	E-2-Methoxy-N-(3-{4-[3-methyl-4-(6-methyl-pyridin-3-yloxy)-phenylamino]-quinazolin-6-yl}-allyl)-acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	(E)-2-methoxy-N-(3-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-6-yl)allyl)acetamide.	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	Acetamide, 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propen-1-yl)-	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-(3-(4-((3-methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)amino)quinazolin-6-yl)allyl)acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	ACETAMIDE, 2-METHOXY-N-[3-[4-[[3-METHYL-4-[(6-METHYL-3-PYRIDINYL)OXY]PHENYL]AMINO]-6-QUINAZOLINYL]-2-PROPEN-1-YL]-	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	UNII-I05QZ0S4V3	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	SCHEMBL95109	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-Methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	MLS006011185	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	GTPL7883	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	SCHEMBL4617807	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	BDBM31340	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CHEBI:91331	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	cid_9874913	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CHEBI:167658	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	BCPP000275	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	DTXSID401026009	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	BCP01844	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	EX-A2355	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	ZINC3817105	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	NSC780042	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	NSC800078	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	s1167	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	AKOS005146427	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	BCP9000546	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CCG-269443	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CS-W009630	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	DB12302	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	EX-8511	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	HY-W008914	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	NSC-780042	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	NSC-800078	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	NCGC00263101-04	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	NCGC00263101-07	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	(E)-2-methoxy-N-(3-(4-((3-methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)amino)quinazolin-6-yl)allyl)acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[(2E)-3-[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-6-yl]prop-2-en-1-yl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]allyl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	AC-32043	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	AC-36039	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	AM808085	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	AS-16200	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	BC165637	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	SMR004702954	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	DB-028138	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	SW219420-1	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	CP724714, >=98% (HPLC)	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	A923517	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	J-501857	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	BRD-K76908866-001-02-7	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	Q27076902	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-Methoxy-N-((E)-3-{4-[3-methyl-4-(6-methyl-pyridin-3-yloxy)-phenylamino]-quinazolin-6-yl}-allyl)-acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[(2E)-3-(4-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]anilino}quinazolin-6-yl)prop-2-en-1-yl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]prop-2-enyl]ethanamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]amino]quinazolin-6-yl]prop-2-enyl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	PC_9874913
C27H27N5O3	469.5	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N	Acetamide,2-methoxy-N-[3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propenyl]-	PC_9874913
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SB590885	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	405554-55-4	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SB-590885	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SB 590885	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(E)-5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(E)-SB-590885	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(Z)-SB-590885	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SCHEMBL131578	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	CHEMBL477989	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SCHEMBL12518520	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SCHEMBL16111665	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SCHEMBL17378611	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	EX-A612	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	CHEBI:131881	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	BCPP000070	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	AMY20674	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	BDBM50457452	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	MFCD16038645	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	NSC754362	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	NSC756456	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	s2220	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	SB-590885 (RAF)	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	ZINC100061199	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	CCG-264947	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	NSC-754362	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	NSC-756456	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(E)--(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(E)-SB590885	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	AC-36016	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	AS-16232	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(E)-SB 590885	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	A25514	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	J-501805	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	BRD-K78809024-001-05-7	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	Q27120375	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	Q27225284	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	(1E)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	5-(2-(4-(2-(Dimethylamino)ethoxy)phenyl)-5-(4-pyridinyl)-1H-imidazol-4-yl)-indan-1-one oxime	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-oneoxime	PC_135421339
C27H27N5O2	453.5	CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MLSAQOINCGAULQ-QFMPWRQOSA-N	5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime;SB-590885	PC_135421339
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	oxaliplatin	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	DSSTox_CID_16760	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	DSSTox_RID_79292	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	DSSTox_GSID_36760	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	Oxalato(trans-l-1,2-cyclohexanediamine)platinum(II)	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	cis-oxalato-trans-l-1,2-diaminocyclohexaneplatinum(II)	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	CAS-61825-94-3	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	Oxaliplatin [USAN:INN:BAN]	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	NCGC00167798-01	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	SCHEMBL19511	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	DTXSID0036760	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	HMS3269F19	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	Tox21_112585	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	Tox21_112629	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	AKOS005766023	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	AKOS015855804	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	CS-0992	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	BP-25383	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	HY-17371	PC_9887053
C8H14N2O4Pt	397.29	O=C(O)C(=O)O.[NH-]C1CCCCC1[NH-].[Pt+2]	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N	[(1S,2S)-2-azanidylcyclohexyl]azanide; oxalate; platinum(4+)	PC_9887053
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NVP-BHG712	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	940310-85-0	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NVP-BHG 712	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	BHG712	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	BHG-712	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	N86NEM4R7Q	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-methyl-3-((1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-Methyl-3-((1-methyl-6-(3-pyridinyl)-1H-pyrazolo(3,4-d)pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-Methyl-3-{[1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	Benzamide, 4-methyl-3-((1-methyl-6-(3-pyridinyl)-1H-pyrazolo(3,4-d)pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)-	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	Benzamide, 4-methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]-	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	DXH	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NVPBHG712	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	UNII-N86NEM4R7Q	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	MLS006011050	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	SCHEMBL4699731	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	CHEMBL3752910	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	CHEBI:91447	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	BHG 712	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	DTXSID90587779	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	EX-A160	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	HMS3655D10	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	HMS3672C11	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	HMS3747I03	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NVP-BHG 712 [WHO-DD]	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	BCP02362	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	HY-13258A	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	MFCD20272929	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NSC820799	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NSC820919	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	s2202	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	ZINC70466439	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	AKOS027301529	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	BCP9001010	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	CCG-269716	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NSC-820799	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NSC-820919	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	SB16586	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NCGC00249391-01	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	AC-32065	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	BS-18262	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	SMR004702842	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	NVP-BHG712, >=98% (HPLC)	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	CS-0094280	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	FT-0726029	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	SW219930-1	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	F17367	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	J-515740	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	Q27163294	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-Methyl-3-(1-methyl-6-pyridin-3-yl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-trifluoromethyl-phenyl)-benzamide	PC_16747388
C26H20F3N7O	503.5	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N	4-methyl-3-[[1-methyl-6-(3-pyridinyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide	PC_16747388
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Elesclomol	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	488832-69-5	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	STA-4783	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Elesclomol (STA-4783)	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	N'1,N'3-dimethyl-N'1,N'3-di(phenylcarbonothioyl)malonohydrazide	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Elesclomol [USAN]	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	CHEBI:79369	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Propanedioic acid, bis[2-methyl-2-(phenylthioxomethyl)hydrazide]	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	6UK191M53P	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	GSK-842879A	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Elesclomol (USAN)	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	GSK-842879	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	1,3-Bis[2-methyl-2-(phenylthioxomethyl)hydrazide]propanedioic acid	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	1-N'-Benzenecarbothioyl-3-(2-benzenecarbothioyl-2-methylhydrazinyl)-N'-methyl-oxopropanehydrazidide	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Elesclomol [USAN:INN]	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	elesclomolum	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	UNII-6UK191M53P	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)propanedihydrazide	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Propanedioic acid, bis(2-methyl-2-(phenylthioxomethyl)hydrazide)	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	STA4783	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	STA 4783	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	NSC174939	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	ELESCLOMOL [MI]	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	ELESCLOMOL [INN]	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	ELESCLOMOL [MART.]	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	ELESCLOMOL [WHO-DD]	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	MLS006011164	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	SCHEMBL313745	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	CHEMBL1972860	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	DTXSID2042642	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	SCHEMBL10131773	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	EX-A602	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	HMS3654M11	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	HMS3868I03	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	BCP00247	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	ZINC1716098	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	MFCD12911784	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	s1052	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	AKOS005145783	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	BCP9000639	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	CCG-264795	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	CS-0192	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	DB05719	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	NSC-174939	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	SB17208	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	NCGC00183656-01	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	NCGC00183656-02	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	NCGC00183656-09	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	NCGC00183656-11	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	AC-35840	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	AS-56232	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	HY-12040	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	NCI60_001429	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	SMR004702933	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	FT-0700480	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	SW219775-1	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	EC-000.2312	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	A23836	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	D08909	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	H11160	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	832E695	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	J-503879	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	N-malonyl-bis (N'-methyl-N'-thiobenzoyl hydrazide)	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	Q5359460	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	BRD-K82135108-001-01-9	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	N,N'-Bis[methyl[phenyl(thiocarbonyl)]amino]malonamide	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	N'(1),N'(3)-dimethyl-N'(1),N'(3)-bis(phenylcarbonothioyl)malonohydrazide	PC_300471
C19H20N4O2S2	400.5	CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	1-N'-benzenecarbothioyl-3-(2-benzene carbothioyl-2-methylhydrazinyl)-N'-methyloxopropanehydrazidide	PC_300471
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	1316214-52-4	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Ricolinostat	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	ACY-1215	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Rocilinostat	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Rocilinostat (ACY-1215)	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	ACY-63	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Ricolinostat (ACY-1215)	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	WKT909C62B	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	7-{[2-(DIPHENYLAMINO)PYRIMIDIN-5-YL]FORMAMIDO}-N-HYDROXYHEPTANAMIDE	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	MFCD22666356	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Ricolinostat [USAN]	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Ricolinostat [USAN:INN]	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	UNII-WKT909C62B	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	ACY1215	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Ricolinostat (USAN/INN)	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	RICOLINOSTAT [INN]	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	2-(Diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	MLS006011181	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	RICOLINOSTAT [WHO-DD]	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	SCHEMBL574580	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	GTPL7010	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	CHEMBL2364628	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	CHEBI:95073	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	DTXSID40157148	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	EX-A139	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	HMS3426C09	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	HMS3653F17	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	HMS3886L21	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	ACY 1215	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	AMY38185	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	BCP06028	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	BDBM50439674	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	NSC767952	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	s8001	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	ZINC89630354	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	AKOS024259260	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	CCG-269054	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	CS-0965	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	DB12376	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	NSC-767952	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	SB17054	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	NCGC00345802-01	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	NCGC00345802-05	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	AC-30258	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	AS-73344	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	BA164806	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	HY-16026	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	SMR004702950	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	SY096614	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	SW219836-1	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	D10661	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	J-690127	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	Q27088553	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	AH4	PC_53340666
C24H27N5O3	433.5	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N	US8609678, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [26]	PC_53340666
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelarabine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelzarabine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	121032-29-9	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Arranon	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Atriance	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	506U78	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	GW-506U78	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	506U	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	GW 506U78	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Attriance	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NSC-686673	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	(2R,3S,4S,5R)-2-(2-Amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelarabine (Arranon)	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	CHEBI:63612	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	(2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NSC-755985	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	MAY	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-Amino-6-methoxypurine arabinoside	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NSC-759876	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NCGC00181098-01	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	60158CV180	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	S1213	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	DSSTox_CID_26842	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	DSSTox_RID_81952	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	DSSTox_GSID_46842	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelarabine [USAN]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	ArranonG	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	GW506U78	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	SMR002544682	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Arranon (TN)	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelzarabine (USAN)	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	CAS-121032-29-9	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	compound 506U78	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9-beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelarabine [USAN:INN:BAN]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	GW-506U	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	UNII-60158CV180	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelarabine [INN]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NSC 686673	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NELARABINE [MI]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NELARABINE [JAN]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NELARABINE [VANDF]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NELARABINE [MART.]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NELARABINE [WHO-DD]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	SCHEMBL18820	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	MLS003915614	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	MLS004774135	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	MLS006010906	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Nelarabine (JAN/USAN/INN)	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NELARABINE [EMA EPAR]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	GTPL7090	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	CHEMBL1201112	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	DTXSID6046842	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NELARABINE [ORANGE BOOK]	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	BCPP000392	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	HMS3715I16	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	ZINC3823492	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Tox21_112714	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	BDBM50247985	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	MFCD00871078	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NSC755985	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-(2-Amino-6-methoxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	AKOS015852325	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	AKOS015920191	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Tox21_112714_1	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	BCP9000318	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	CCG-267441	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	CS-1607	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	DB01280	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NCGC00274059-01	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	NCGC00274059-02	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	AS-47664	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	HY-13701	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	N1144	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	SW218086-2	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	D05134	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	F15095	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	AB01274773-01	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	AB01274773_02	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	EN300-7361965	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	032N299	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	A804639	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	A935144	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	SR-01000931847	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9-?-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	Q1216264	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	SR-01000931847-3	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-Amino-6-methoxy-9-b-D-arabinofuranosyl-9 H-purine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-Amino-6-methoxy-9-b-D-arabinofuranosyl-9H-purine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9H-Purin-2-amine, 9-b-D-arabinofuranosyl-6-methoxy-	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	BRD-K84466663-001-01-3	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-Amino-6-methoxy-9-beta-D-arabinofuranosyl-9H-purine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9-(beta-D-arabinofuranosyl)-6-methoxy-9H-purin-2-amine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9-beta -D-arabinofuranosyl-2-amino-6-methoxy-9H-purine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9-beta-D-arabinofuranosyl-2-amino-6-methoxy-9 H-purine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9H-Purin-2-amine, 9beta-D-arabinofuranosyl-6-methyl-	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-Amino-6-methoxy-9-(beta-D-arabinofuranosyl)-9H-purine	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	2-AMINO-9-.BETA.-D-ARABINOFURANOSYL-6-METHOXY-9H-PURINE	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9-.BETA.-D-ARABINOFURANOSYL-6-METHOXY-9H-PURIN-2-AMINE	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	9H-PURIN-2-AMINE, 9-.BETA.-D-ARABINOFURANOSYL-6-METHOXY-	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	(2R,3S,4S,5R)-2-(2-amino-6-methoxy-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	(2R,3S,4S,5R)-2-(2-amino-6-methoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	(2R,3S,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	PC_3011155
C11H15N5O5	297.27	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)oxolane-3,4-diol	PC_3011155
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(-)-Rapamycin	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	53123-88-9	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	AY 22989	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	AY-22989	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	I 2190A	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	I-2190A	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	I2190A	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NSC 226080	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	RAPA	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapammune	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamune	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIIA 9268A	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Sirolimus	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Wy 090217	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin (Sirolimus)	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	rapalimus	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	WY-090217	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin (GMP)	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	L04AA10	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Npc-12g	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Antibiotic AY 22989	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	CHEBI:9168	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	W36ZG6FT64	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SM-88 COMPONENT SIROLIMUS	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	DE-109	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	MFCD00867594	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NSC-226080	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NCGC00021305-05	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	DSSTox_CID_3582	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	sirolimusum	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	DSSTox_RID_77091	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	DSSTox_GSID_23582	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SILA 9268A	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Supralimus	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin/Sirolimus	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	CAS-53123-88-9	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Perceiva	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Cypher	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	CCRIS 9024	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NSC226080	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	HSDB 7284	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	1fkb	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	1pbk	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NCGC00181146-01	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	LCP-Siro	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-(methyloxy)cyclohexyl]-1-methylethyl}-6,8,12,14,20,26-hexamethyl-10,21-bis(methyloxy)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	RAP	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	FYARRO	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	HYFTOR	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	S1039	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [INN]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [JAN]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	RAPAMYCIN [MI]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [HSDB]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [USAN]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [VANDF]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	BiomolKI2_000084	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [MART.]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SCHEMBL3463	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [USP-RS]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [WHO-DD]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin,Sirolimus,Rapamune	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	UNII-W36ZG6FT64	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	BIDD:PXR0165	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [EMA EPAR]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	MLS006010168	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Sirolimus [USAN:INN:BAN]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	GTPL6031	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SIROLIMUS [ORANGE BOOK]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	DTXSID5023582	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	BDBM36609	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	MS-R001	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	RAPA, Rapamune, Sirolimus, RPM	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	HMS2089A21	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	HMS3403F11	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	HMS3884C03	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	EX-A1044	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	RPM	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Tox21_110870	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Tox21_112750	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	AC-722	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	BDBM50064359	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	HY-10219G	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	STL570275	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	AKOS015850976	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	AKOS015961618	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	ZINC169289388	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	CCG-100684	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	CS-0063	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	DB00877	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NAB-RAPAMYCIN COMPONENT RAPAMYCIN	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NSC-2260804	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NCGC00021305-06	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	NCGC00021305-07	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin from Streptomyces hygroscopicus	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	AS-11687	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	HY-10219	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	SMR004701276	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Fyarro (sirolimus albumin-bound particles)	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	EVEROLIMUS IMPURITY A [EP IMPURITY]	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	UNM-0000358684	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	A-275	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	CS-0626126	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	R0097	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin, VETRANAL(TM), analytical standard	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	EC 610-965-5	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	M02444	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Q32089	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	123R889	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Q-201659	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	BRD-K84937637-001-04-0	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	BRD-K84937637-001-06-5	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	BRD-K89626439-001-01-0	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Z2568665260	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypy	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin from Streptomyces hygroscopicus, >=95% (HPLC), powder	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	Rapamycin from Streptomyces hygroscopicus, Vetec(TM) reagent grade, >=95%	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34 aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hex adecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydro xy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy- 6,8,12,14,20,26-hexamethyl-23,27-ep	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-4,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-heptadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-223,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-(methyloxy)cyclohexyl]-1-methylethyl}-6,8,12,14,20,26-hexamethyl-10,21-bis(methyloxy)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,	PC_5284616
C51H79NO13	914.2	COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	1,18-Dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-ethyl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-aza-tricyclo[30.3.1.0*4,9*]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone (Rapamycin)	PC_5284616
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	405169-16-6	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CHIR-258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	TKI-258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Chir 258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib [INN]	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib (TKI-258, CHIR-258)	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CHIR258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	TKI258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib lactate	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	TKI 258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CHEMBL522892	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	GFKI-258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	804551-71-1	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CHEMBL4578973	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	I35H55G906	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-Amino-5-Fluoro-3-(6-(4-Methylpiperazin-1-yl)-1H-Benzo[D]Imidazol-2-yl)Quinolin-2(1H)-One	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-quinolin-2-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	(3Z)-4-Amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-2(3H)-quinolinone	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	(3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	1027263-12-2	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-AMINO-5-FLUORO-3-[ 5- (4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib, Free Base	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	UNII-I35H55G906	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	38O	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	MFCD10565680	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	TK-258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Kinome_1513	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib (TKI-258)	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	DOVITINIB [WHO-DD]	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NVP-TKI258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	MLS006009991	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	SCHEMBL172687	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	GTPL5962	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	SCHEMBL9975396	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	SCHEMBL20399550	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	BDBM25118	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CHEBI:91395	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	BCPP000286	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	BDBM153731	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CHIR-258(Dovitinib,TKI258)	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib,TKI258, CHIR-258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	DTXSID901025925	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	HMS3295E21	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	HMS3651E03	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	BCP01981	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	EX-A2051	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	ZINC3816310	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CHIR-258, TKI258, Dovitinib	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	BDBM50507579	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NSC759661	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NSC800092	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NSC807408	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	s1018	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	ZINC18710083	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Dovitinib; TKI-258; CHIR-258	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	AKOS005146311	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	AKOS015951093	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	ZINC100270141	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	BCP9000518	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CCG-264778	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	CS-0120	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	DB05928	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NSC-759661	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NSC-800092	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NSC-807408	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	PB13248	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	SB20297	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NCGC00249685-01	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NCGC00249685-02	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	NCGC00249685-11	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	(3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	1447274-99-8	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	AC-32059	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	AS-19556	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	HY-50905	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	SMR004701066	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	FT-0667782	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	SW219787-1	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	EC-000.2257	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	A24080	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	C75053	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	TKI-258;CHIR-258;Unii-I35H55G906	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	169A166	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	326D834	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	J-514396	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	BRD-K85402309-001-01-7	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Q27077102	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Q27163255	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	Q27453625	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	B2693-091881	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2 (1h)-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[6(4-methyl-1-piperazinyl)-1h-benzimidazol-2-yl]-2(1h)-quinolinone	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[6-(4-methyl-piperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	(3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL)QUINOLIN-2(1H)-ONE	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2,3-dihydroquinolin-2-one	PC_135398510
C21H21FN6O	392.4	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N	4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one	PC_135398510
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Linsitinib	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	867160-71-2	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	OSI-906	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Linsitinib(OSI-906)	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	OSI906	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	OSI 906	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	OSI-906AA	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	OSI-906 (Linsitinib)	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	ASP-7487	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	15A52GPT8T	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	CHEMBL1091644	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	MMV676605	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	cis-3-(8-amino-1-(2-phenyl-7-quinolinyl)imidazo(1,5-a)pyrazin-3-yl)-1-methylcyclobutanol	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	(1r,3r)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol.	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Linsitinib [USAN]	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Kinome_3532	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Linsitinib [USAN:INN]	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	UNII-15A52GPT8T	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	CIS-3-(8-AMINO-1-(2-PHENYLQUINOLIN-7-YL)IMIDAZO(1,5-A)PYRAZIN-3-YL)-1-METHYLCYCLOBUTAN-1-OL	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Cis-3-(8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Linsitinib; OSI-906	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	LINSITINIB [INN]	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Linsitinib (USAN/INN)	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Linsitinib (OSI-906)	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	LINSITINIB [WHO-DD]	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	MLS006010304	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SCHEMBL400369	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SCHEMBL400734	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SCHEMBL400735	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	GTPL7423	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	CHEMBL1996234	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SCHEMBL10255925	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	CHEBI:91402	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	EX-A719	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	BCPP000137	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	BDBM185150	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	DTXSID401007055	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	DTXSID901121553	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	HMS3295G15	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	HMS3654C19	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	BCP01831	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	BDBM50315887	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	MFCD12912153	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NSC756652	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NSC800784	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	s1091	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	ZINC53239527	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	AKOS024464740	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	ZINC100071817	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	ZINC113742575	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	BCP9001035	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	CCG-264815	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	CS-0242	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	DB06075	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NSC-756652	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NSC-800784	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	PB22643	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NCGC00250375-02	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NCGC00250375-03	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NCGC00250375-11	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	NCGC00250375-14	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	AC-26953	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	AS-16999	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	HY-10191	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SMR004700744	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	FT-0670821	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SW218150-2	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	D09925	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SR-05000022538	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	J-520074	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Q6554803	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	SR-05000022538-1	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	BRD-K07667918-001-01-3	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	Q27163260	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	3-[8-amino-1-(2-phenyl-7-quinolinyl)-3-imidazo[1,5-a]pyrazinyl]-1-methyl-1-cyclobutanol	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	cis-3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutanol	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	(1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	1356958-77-4	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	3-(8-amino-1-(2-phenylquinolin-7-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	3-[8-AMINO-1-(2-PHENYL-QUINOLIN-7-YL)-IMIDAZO[1,5-A]PYRAZIN-3-YL]-1-METHYL-CYCLOBUTANOL	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	867160-72-3	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	CYCLOBUTANOL, 3-(8-AMINO-1-(2-PHENYL-7-QUINOLINYL)IMIDAZO(1,5-A)PYRAZIN-3-YL)-1-METHYL-, CIS-	PC_11640390
C26H23N5O	421.5	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	trans-3-[8-Amino-1-(2-phenyl-7-quinolinyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutanol	PC_11640390
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	EMBELIN	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	550-24-3	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Embelic acid	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Emberine	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	2,5-Dihydroxy-3-undecyl-1,4-benzoquinone	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	2,5-Dihydroxy-3-undecyl-p-benzoquinone	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NSC 91874	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	CHEBI:4778	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NSC91874	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SHC6U8F5ER	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	p-Benzoquinone, 2,5-dihydroxy-3-undecyl-	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NSC-91874	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SR-01000597536	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	EINECS 208-979-8	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	UNII-SHC6U8F5ER	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	BRN 1885786	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Embeliaquinone	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	MFCD00016369	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Spectrum_001513	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Tocris-2156	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SpecPlus_000501	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	EMBELIN [MI]	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Spectrum3_001931	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Spectrum4_001760	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Spectrum5_000620	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	BSPBio_003531	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	KBioGR_002240	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	KBioSS_001993	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	4-08-00-02769 (Beilstein Handbook Reference)	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	MLS000563189	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	BIDD:ER0529	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	DivK1c_006597	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SCHEMBL148744	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SPECTRUM1504074	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	CHEMBL221137	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	GTPL11209	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	KBio1_001541	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	KBio2_001993	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	KBio2_004561	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	KBio2_007129	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	KBio3_002783	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	DTXSID80203537	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HMS1922B07	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HMS2271A03	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HMS3268N13	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HMS3413I11	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HMS3652J16	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HMS3677I11	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	BCP31134	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	TNP00137	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	ZINC1531764	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	BDBM50078850	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	CCG-39906	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Embelin, >=98% (HPLC), powder	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HSCI1_000123	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	AKOS016010144	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	CS-1879	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	p-Benzoquinone,5-dihydroxy-3-undecyl-	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SDCCGMLS-0066817.P001	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	2,4-dione, 2,5-dihydroxy-3-undecyl-	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-01	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-02	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-03	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-04	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-05	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-06	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-07	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-08	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-10	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00025359-01	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00025359-02	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00025359-03	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00025359-04	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00025359-05	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	AC-34763	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	AS-55903	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	BP-25395	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	HY-17473	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCI60_042031	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SMR000470851	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	2,5-Dihydroxy-3-undecyl-[1,4]benzoquinone	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	FT-0712499	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	S7025	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SW219508-1	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	A830443	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SR-01000597536-1	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	SR-01000597536-3	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Q27068169	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Embelic acid;2,5-Dihydroxy-3-undecyl-1,4-benzoquinone	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	Embelic acid; Emberine; NSC 91874; NSC91874; NSC 91874	PC_3218
C17H26O4	294.4	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	IRSFLDGTOHBADP-UHFFFAOYSA-N	NCGC00017248-12!2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione	PC_3218
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	288383-20-0	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Recentin	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AZD2171	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cedirannib	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib (AZD2171)	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AZD 2171	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AZD-2171	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib free base	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AZD-2171 maleate	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NQU9IPY4K9	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	ZD-2171	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	CHEMBL491473	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	288383-20-0 (free base)	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NSC-732208	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib (AZD217)	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib [INN]	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Kinome_3318	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib (USAN/INN)	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	UNII-NQU9IPY4K9	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib [USAN:INN:BAN]	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-(4-fluoro-2-methylindol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-6-METHOXY-7-(3-PYRROLIDIN-1-YLPROPOXY)QUINAZOLINE	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Quinazoline, 4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(1-pyrrolidinyl)propoxy)-	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Quinazoline, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib,AZD2171	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib dihydrochloride	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AZD2171, Cediranib	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	CEDIRANIB [USAN]	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Cediranib - AZD2171	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	CEDIRANIB [MART.]	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	CEDIRANIB [WHO-DD]	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	SCHEMBL63147	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	MLS006010063	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	GTPL5664	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	CHEBI:94782	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	DTXSID10183035	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	BCPP000295	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	HMS3654G05	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	HMS3674G17	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	HMS3744O21	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AMY16021	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	BCP01378	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	EX-A2039	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	ZINC3948085	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	BDBM50331096	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	MFCD09954115	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NSC755606	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NSC800069	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	s1017	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AKOS005145767	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	BCP9000500	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	CCG-264679	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	CS-0119	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	DB04849	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	ES-0052	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NSC-755606	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NSC-800069	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	SB16536	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	ZD 2171	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NCGC00263097-01	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	NCGC00263097-09	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AC-25033	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	HY-10205	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Quinazoline,4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	SMR004701223	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	FT-0751000	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	SW219261-1	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	EC-000.2328	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	A24280	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	D08881	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Q-101399	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	Q5057052	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	BRD-K86930074-001-01-9	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline	PC_9933475
C25H27FN4O3	450.5	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	XXJWYDDUDKYVKI-UHFFFAOYSA-N	AV3	PC_9933475
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	OSI-027	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	936890-98-1	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	OSI 027	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	OSI027	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	25MKH1SZ0M	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	AEVI-006	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	CERC 006	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	CERC-006	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ASP 7486	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ASP-7486	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	936890-98-1 (free acid)	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	4-[(5Z)-4-amino-5-(7-methoxyindol-2-ylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	(1r,4r)-4-(4-Amino-5-(7-methoxy-1H-indol-2-yl)imidazo-[5,1-f][1,2,4]triazin-7-yl)cyclohexanecarboxylic acid	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	Cyclohexanecarboxylic acid, 4-(4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo(5,1-f)(1,2,4)triazin-7-yl)-, trans-	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	trans-4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-cyclohexanecarboxylic acid	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	TRANS-4-[4-AMINO-5-(7-METHOXY-1H-INDOL-2-YL)IMIDAZO[5,1-F][1,2,4]TRIAZIN-7-YL]CYCLOHEXANECARBOXYLIC ACID	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	UNII-25MKH1SZ0M	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	Cyclohexanecarboxylic acid, 4-[4-amino-5-(7-methoxy-1h-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-, trans-	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	trans-4-(4-Amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl)cyclohexanecarboxylic acid	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	1187559-66-5	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	MLS006011006	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SCHEMBL976795	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SCHEMBL976796	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	CHEMBL2132692	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	CHEMBL3120215	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	OSI 027 [WHO-DD]	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SCHEMBL20482333	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SCHEMBL22594988	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SCHEMBL22787096	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	CHEBI:91363	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ASP4786	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	EX-A143	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	BDBM185151	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	DTXSID901025951	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	HMS3656H05	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	HMS3748I11	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	BCP02613	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	NSC800810	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	s2624	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ZINC68203220	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	AKOS030238938	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	AKOS037643584	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ZINC142410723	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ZINC199501105	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ZINC252286769	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	ZINC584566813	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	AM81260	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	BCP9001034	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	CCG-268721	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	CS-0257	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	DB12387	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	NSC-800810	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SB19259	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	NCGC00250395-01	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	NCGC00386179-01	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	NCGC00386179-04	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	NCGC00387858-03	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	(+/-)-Cyclohexanecarboxylic acid, 4-(4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo(5,1-f)(1,2,4)triazin-7-yl)-, trans-	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	AC-31517	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	AS-17003	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	HY-10423	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	LS-14875	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SMR004702804	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	DB-079654	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	SW220246-1	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	F17371	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	J-523839	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	BRD-K94294671-003-01-3	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	Q27163231	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	Q27253978	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	(1r,4r)-4-(4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl)cyclohexanecarboxylic acid	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	4-[4-amino-5-(7-methoxy-2-indolylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]-1-cyclohexanecarboxylic acid	PC_135398516
C21H22N6O3	406.4	COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N	trans-4-[4-amino-5-(7-methoxy-1H-indol-2-yl)-imidazo[5,1-f][1,2,4]triazin-7-yl]-cyclohexanecarboxylic acid	PC_135398516
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Flavopiridol	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Alvocidib	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	146426-40-6	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Alvocidib freebase	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	L86-8275	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	L 868275	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	L-868275	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Flavopiridol (Alvocidib)	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	HMR-1275	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	HMR 1274	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	L 86-8275	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	CHEMBL428690	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	45AD6X575G	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	NSC 649890 HCl	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	MDL-107826A	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromen-4-one	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Alvocidib [INN]	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	FLAVO	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Flavoperidol	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Alvocidib [USAN]	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	L868275	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Alvocidib [USAN:INN]	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	alvocidibum	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	UNII-45AD6X575G	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	CCRIS 9399	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	4H-1-BENZOPYRAN-4-ONE, 2-(2-CHLOROPHENYL)-5,7-DIHYDROXY-8-((3S,4R)-3-HYDROXY-1-METHYL-4-PIPERIDINYL)-	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	(-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	NSC649890	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	1c8k	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	1e1y	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Alvocidib (USAN/INN)	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	FLAVOPIRIDOL [MI]	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	ALVOCIDIB [MART.]	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	ALVOCIDIB [WHO-DD]	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	SCHEMBL3652	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Flavopiridol HCl; Alvocidib	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	BDBM5655	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	GTPL5680	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	CHEBI:47344	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	DTXSID20904970	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	EX-A1901	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Flavopiridol,Alvocidib, HMR-1275	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	HMR-1274	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	MFCD20501884	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	NSC799330	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	s1230	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	ZINC21288966	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	AM84422	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	CCG-268666	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	DB03496	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	NSC-799330	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	(-)-cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-, rel-(-)-	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, cis-(-)-	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	AS-74761	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	HY-10005	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	A25160	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	D09868	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	J-008219	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	Q4063441	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	BRD-K87909389-001-01-2	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	(-)-CIS-2-(2-CHLOROPHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYLPIPERIDIN-4-YL)-4H-1-BENZOPYRAN-4-ONE	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one;Alvocidib	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-	PC_5287969
C21H20ClNO5	401.8	CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N	5,7-Dihydroxy-2-(2-chlorophenyl)-8-(1-methyl-3beta-hydroxypiperidin-4beta-yl)-4H-1-benzopyran-4-one	PC_5287969
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	pyrimethamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	58-14-0	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Daraprim	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Chloridine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Diaminopyritamin	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pirimetamin	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Chloridin	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Chloridyn	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pirimecidan	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pirimetamina	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethamin	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Malocide	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Primethamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Darachlor	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Erbaprelina	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Khloridin	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Tindurin	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Malocid	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	5-(4-CHLOROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethaminum	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Darapram	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Daraprime	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Malacid	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Maloprim	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyremethamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	RP 4753	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	TCMDC-125860	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BW 50-63	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCI-C01683	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	GNF-Pf-5586	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	WR 2978	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NSC-3061	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	4753 R.P.	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	TCMDC-123831	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CHEMBL36	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-Pyrimidinediamine, 5-(p-chlorophenyl)-6-ethyl-	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	MLS000028606	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	MLS002701881	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CHEBI:8673	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Z3614QOX8W	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Daraclor	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NSC3061	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	RP-4753	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	WR-2978	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CAS-58-14-0	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-08	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SMR000058714	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Tinduring	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pirimetamina [Spanish]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	DSSTox_CID_1217	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	DSSTox_RID_76016	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	DSSTox_GSID_21217	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CP6	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pirimetamina [INN-Spanish]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethaminum [INN-Latin]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BRD9204	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BRD-9204	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Daraprim (TN)	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CCRIS 546	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethamine (Pyr)	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SR-01000003150	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NSC 3061	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	EINECS 200-364-2	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BRN 0219864	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	UNII-Z3614QOX8W	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CRL-8131 & Pyrimethamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CRL-8142 & Pyrimethamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Lactoferrin B & Pyrimethamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Lactoferrin H & Pyrimethamine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AI3-25005	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethamine (JAN/USP/INN)	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AZT + Pyrimethamine combination	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HSDB 8042	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	EXR-101	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethamine [USP:INN:BAN:JAN]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Prestwick_504	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	MFCD00057350	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BW 5063	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Daraclor (Salt/Mix)	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Spectrum_000906	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	4km0	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CPD000058714	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Opera_ID_1437	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Prestwick0_000037	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Prestwick1_000037	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Prestwick2_000037	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Prestwick3_000037	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Spectrum2_000886	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Spectrum3_001701	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Spectrum4_000494	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Spectrum5_001447	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [MI]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [INN]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [JAN]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	cid_4993	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCIOpen2_008313	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [IARC]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BIDD:PXR0173	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SCHEMBL25129	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BSPBio_000133	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BSPBio_003282	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KBioGR_001007	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KBioSS_001386	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [VANDF]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	MLS001148621	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	MLS002454446	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BIDD:GT0149	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	DivK1c_000652	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [MART.]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SPECTRUM1500520	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SPBio_000672	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SPBio_002054	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [USP-RS]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [WHO-DD]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [WHO-IP]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BPBio1_000147	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	GTPL4800	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	DTXSID9021217	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BDBM18512	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS502A14	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KBio1_000652	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KBio2_001386	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KBio2_003954	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KBio2_006522	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KBio3_002502	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	ZINC57464	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NINDS_000652	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pirimecidan;Pirimetamin;RP 4753	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS1568G15	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS1920N12	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS2092E13	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS2095G15	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS2235A17	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS3259C04	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS3371L07	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS3655D09	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS3675P11	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS3712G15	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS3743O05	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HMS3871I03	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pharmakon1600-01500520	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [GREEN BOOK]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [ORANGE BOOK]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2, 5-(p-chlorophenyl)-6-ethyl-	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2, 5-(4-chlorophenyl)-6-ethyl-	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [EP MONOGRAPH]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Tox21_110332	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Tox21_201834	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Tox21_300129	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CCG-39626	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NSC757306	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE [USP MONOGRAPH]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINUM [WHO-IP LATIN]	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AKOS015892534	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	FANSIDAR COMPONENT PYRIMETHAMINE	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Tox21_110332_1	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AB02313	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AC-7879	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	CS-1717	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	DB00205	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	KS-5223	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NC00528	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NSC-757306	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	IDI1_000652	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-01	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-02	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-03	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-04	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-05	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-06	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-07	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-09	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-10	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-11	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-12	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-13	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-14	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-16	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00016256-17	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00023188-03	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00023188-04	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00023188-05	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00023188-06	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00023188-07	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00254199-01	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCGC00259383-01	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	WLN: T6N CNJ BZ DZ ER DG& F2	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	HY-18062	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	NCI60_002604	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	PYRIMETHAMINE COMPONENT OF FANSIDAR	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SBI-0051500.P003	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	DB-053158	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AB00052084	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	FT-0631253	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	P2037	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	S2006	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SW196698-3	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	C07391	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	D00488	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	EN300-118717	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	MLS-0002822.0001	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AB00052084-21	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AB00052084_22	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	AB00052084_25	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	057P350	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	A831755	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	L000713	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethamine, VETRANAL(TM), analytical standard	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimidine,4-diamino-5-(p-chlorophenyl)-6-ethyl-	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Q421072	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4,-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-diamino-6-ethyl-5-(4-chlorophenyl)pyrimidine	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Q-201648	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SR-01000003150-2	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	SR-01000003150-4	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BRD-K88429204-001-05-4	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BRD-K88429204-001-18-7	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BRD-K88429204-001-21-1	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	BRD-K88429204-001-36-9	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Z1515385085	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine, 97%	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethamine, European Pharmacopoeia (EP) Reference Standard	PC_4993
C12H13ClN4	248.71	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	Pyrimethamine, United States Pharmacopeia (USP) Reference Standard	PC_4993
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	7-Ethyl-10-hydroxycamptothecin	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	86639-52-3	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SN-38	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SN 38	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SN 38 lactone	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SN38	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	10-Hydroxy-7-ethylcamptothecin	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	7-Ethyl-10-hydroxy-20(S)-camptothecin	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NK012	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NK 012	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NK-012	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	CHEBI:8988	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	113015-38-6	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	IT-141	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NSC673596	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	0H43101T0J	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(+)-7-ETHYL-10-HYDROXYCAMPTOTHECIN	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	7-ethyl-10-hydroxy-20(s)-campthothecin	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	LE-SN38	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	Captothecin, 7-ethyl-10-hydroxy-	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	MFCD00871873	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	UNII-0H43101T0J	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	110714-48-2	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4,11-DIETHYL-4,9-DIHYDROXY-, (4S)-	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	AvaChem1025	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	diethyl(dihydroxy)[?]dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SN 38- Bio-X	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SCHEMBL34018	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	GTPL6925	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SN-38 [WHO-DD]	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	DTXSID4040399	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	10-hydroxy-7-ethyl camptothecin	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	10-hydroxy-7-ethyl-camptothecin	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	7-Ethyl-10-hydroxy campthotecin	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	EX-A989	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	HMS3413B12	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	HMS3652P12	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	HMS3677B12	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	BCP01386	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	ZINC4099013	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	7-Ethyl-10-hydroxy-20(S)-CPT	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	BDBM50418088	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	s4908	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	AKOS015920433	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SN-38(NK-012)	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	AC-1357	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	BCP9000200	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	CCG-264764	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	CS-1579	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	DB05482	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NSC-673596	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NCGC00167831-01	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NCGC00167831-05	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	AS-13533	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	BE164132	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	BP-24513	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	HY-13704	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	NCI60_026056	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	CAMPTOTHECIN, 7-ETHYL-10-HYDROXY-	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	E0748	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	SW219948-1	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	S-(+)-7-ETHYL-10-HYDROXYCAMPOTHECIN	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	EN300-122379	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	439E812	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	A857464	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	Q-100871	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	Q1750127	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	7-Ethyl-10-hydroxycamptothecin, >=98% (HPLC), powder	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	Z1541759909	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione, AldrichCPR	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(4S)-4,9-Dihydroxy-4,11-diethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;SN-38	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	(S)-4,11-Diethyl-4,9-di-OH-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	7-Ethyl-10-hydroxycamptothecin ((S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione)	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)-	PC_104842
C22H20N2O5	392.4	CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	RS4	PC_104842
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW843682X	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	660868-91-7	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW 843682X	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW843682	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW-843682X	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	5-(5,6-dimethoxy-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW843682,  5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	Plk Inhibitor III	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	Kinome_3462	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	thiophene deriv., 20	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	MLS006010260	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	BMCL191018 Compound 2	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	CHEMBL514499	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	SCHEMBL1286884	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	Polo-like Kinase Inhibitor III	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	BDBM25120	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	CHEBI:91334	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	DTXSID80431373	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	BCPP000216	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3265C07	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3265C08	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3265D07	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3265D08	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3267H10	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3303O23	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3305I14	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3413H06	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HMS3677H06	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	BCP27639	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	ZINC3939511	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	NSC756404	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	AKOS022178986	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	BCP9000750	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	CS-0070	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	NSC-756404	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	NCGC00242217-01	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	NCGC00242217-02	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	NCGC00242217-04	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	3-(2-(Trifluoromethyl)benzyloxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	HY-11003	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	SMR004701333	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	FT-0765666	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW843682X, >=98% (HPLC), solid	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	E98801	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW 843682X; GW-843682X	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	AB01092184-01	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	868G917	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	A835326	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	SR-03000003273	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	SR-03000003273-1	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	BRD-K90382497-001-01-6	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	Q27163216	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	GW 843682X;GW843682;GW-843682X	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	Polo-like Kinase Inhibitor III - CAS 660868-91-7	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-((2-(trifluoromethyl)-benzyl)oxy)thiophene-2-carboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide	PC_9826308
C22H18F3N3O4S	477.5	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	5-(5,6-Dimethoxy-benzoimidazol-1-yl-3-(2-trifluoromethyl-benzyloxy)-thiophene-2-carboxylic acid amide	PC_9826308
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	OSU-03012	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	742112-33-0	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	AR-12	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	PDK1 inhibitor AR-12	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	OSU 03012	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	OSU03012	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	OSU-03012 (AR-12)	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	2-amino-N-(4-(5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	AR 12	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	EX3O2Q61UV	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	CHEMBL1650595	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	AR-12 (OSU-03012)	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	1,2-Ethanediamine, N-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	2-Amino-N-[4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]acetamide	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	N-(4-(5-(2-Phenanthryl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)ethane-1,2-diamine	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	UNII-EX3O2Q61UV	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	MLS006010170	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	SCHEMBL570472	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	GTPL8005	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	DTXSID50225206	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	EX-A253	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	CHEBI:131196	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	BCPP000134	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	HMS3654O21	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	HMS3750G15	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	BCP01835	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	ZINC3960083	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	BDBM50430630	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	MFCD12912272	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	NSC756657	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	s1106	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	AKOS025117573	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	BCP9001039	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	CCG-269335	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	CS-0151	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	NSC-756657	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	SB16557	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	NCGC00346490-01	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	NCGC00346490-05	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	AC-30302	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	AS-19550	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	HY-10547	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	SMR004701278	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	FT-0721533	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	SW219927-1	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	EC-000.2346	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	A25444	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	US8741944, 70	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	BRD-K90497590-001-02-6	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	Q15425297	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	OSU-03012|742112-33-0|OSU03012|OSU 03012	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	2-amino-N-[4-[5-(2-phenanthryl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	2-amino-n-{4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]-phenyl} acetamide	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	2-Amino-N-{4-[5-(2-phenanthryl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}acetamide	PC_10027278
C26H19F3N4O	460.4	NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	M4J	PC_10027278
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	PAC-1	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	315183-21-2	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	PAC 1	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	Procaspase activating compound 1	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	9LIS8N0B2C	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	Procaspase-activating compound 1	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	2-(4-Benzylpiperazin-1-yl)-N-((2-hydroxy-3-prop-2-enyl-phenyl)methylideneamino)acetamide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	1287241-26-2	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	1-Piperazineacetic acid, 4-(phenylmethyl)-, ((2-hydroxy-3-(2-propenyl)phenyl)methylene)hydrazide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	(E)-N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	Procaspase-3 Activator	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	UNII-9LIS8N0B2C	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	CID6851947	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	PAC-1 pound notPAC1	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	4-(Phenylmethyl)-1-piperazineacetic acid [[2-hydroxy-3-(2-propenyl)phenyl]methylene]hydrazide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	CHEMBL591429	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	GTPL5238	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	PAC-1-[d8]	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	BDBM36363	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	DTXSID30897425	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	HMS3263J04	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	HMS3413J03	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	HMS3650O04	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	HMS3677J03	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	EX-A2122	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	first procaspase activating compound	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	Tox21_501241	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	NSC743444	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	s2738	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	ZINC31830150	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	AKOS024457180	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	BCP9001044	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	CCG-222545	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	CS-3498	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	DB13048	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	NSC-743444	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	SDCCGSBI-0633812.P001	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	PAC-1, >=98% (HPLC)	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	NCGC00167785-01	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	NCGC00261926-01	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	AC-32078	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	AS-19239	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	HY-13523	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	BCP0726000262	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	SR-02000000933	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	SR-02000000933-2	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	W-202300	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	BRD-K50841342-001-01-6	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	BRD-K92991072-001-01-5	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acEthanolydrazide	PC_135421197
C23H28N4O2	392.5	C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O	C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O	YQNRVGJCPCNMKT-LFVJCYFKSA-N	2-(4-benzylpiperazin-1-yl)-N'-[(1Z)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide	PC_135421197
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	10540-29-1	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	trans-Tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Crisafeno	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Diemon	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifene	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Novaldex	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifeno	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifenum	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifene [INN-French]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifenum [INN-Latin]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifeno [INN-Spanish]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Mammaton	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoplex	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen (INN)	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	CHEMBL83	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Citofen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	ICI-47699	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Istubol	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Oncomox	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Retaxim	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamizam	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NSC-727681	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	cis-Tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	CHEBI:41774	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen (Z)	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	094ZI81Y45	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	TAMOXIFEN [INN]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen [INN:BAN]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	DSSTox_CID_14187	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	DSSTox_RID_79121	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	DSSTox_GSID_34187	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(E/Z)-Tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(z)-2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-n,n-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	[3H]tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen (TN)	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	[3H]-tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoplex (TN)	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	SMR000059172	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	CAS-10540-29-1	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	TRANS FORM OF TAMOXIFEN	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	CCRIS 3275	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HSDB 6782	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	EINECS 234-118-0	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	ICI 47699	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Z-Tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	UNII-094ZI81Y45	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)-	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	ETHANAMINE, 2-(4-((1Z)-1,2-DIPHENYL-1-BUTEN-1-YL)PHENOXY)-N,N-DIMETHYL-	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen, 7	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC)	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	MFCD00010454	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tocris-0999	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	1ya4	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen, >=99%	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	TAMOXIFEN [MI]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	TAMOXIFEN [HSDB]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	TAMOXIFEN [IARC]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Prestwick2_000146	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Prestwick3_000146	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Spectrum5_001417	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Spectrum5_002043	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	TAMOXIFEN [VANDF]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	UPCMLD-DP027	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	EC 234-118-0	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	SCHEMBL4084	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	TAMOXIFEN [WHO-DD]	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BIDD:PXR0003	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Lopac0_001203	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BSPBio_000252	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BSPBio_001150	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BSPBio_001982	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	MLS001332535	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	MLS001332536	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BIDD:ER0008	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BIDD:GT0009	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen, analytical standard	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BPBio1_000278	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	GTPL1016	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	GTPL5384	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	DTXSID1034187	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BDBM20607	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	cid_2733526	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	cMAP_000044	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS1362J11	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS1792J11	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS1990J11	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS2090N08	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS2232C12	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS3261D09	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS3403J11	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HMS3411P04	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	7728-73-6	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	ICI47699	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	ZINC1530689	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tox21_201243	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tox21_300539	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tox21_500494	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	1-p-.beta.-Dimethylamino-ethoxyphenyl-trans-1,2-diphenylbut-1-ene	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	HY-13757A	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NSC727681	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AKOS022143035	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AM84324	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	CCG-205277	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	DB00675	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	FD12063	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	KS-1472	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	LP00494	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	SDCCGSBI-0051170.P007	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	ICI47699;Z-Tamoxifen;trans-Tamoxifen	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	IDI1_000258	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	IDI1_002170	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	QTL1_000079	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-01	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-03	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-04	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-05	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-07	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-08	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-09	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-10	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-11	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-12	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-13	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-14	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-15	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-16	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-17	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-18	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-19	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-39	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00024928-40	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00254455-01	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00258795-01	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	NCGC00261179-01	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AC-35768	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BT164438	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	SBI-0051170.P004	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	C07108	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	D08559	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AB00053547-16	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AB00053547-17	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AB00053547-18	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AB00053547_19	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	AB00053547_20	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	EN300-1273241	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	540T291	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	A801229	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	L024126	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Q412178	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	W-108788	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BRD-K93754473-001-02-9	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BRD-K93754473-048-04-6	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BRD-K93754473-048-05-3	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	BRD-K93754473-048-10-3	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	ETHYL3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONATE	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Tamoxifen, certified reference material, TraceCERT(R)	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	Z2527624834	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	1-[4-(2-Dimethylaminoethoxy)phenyl]-1,2-diphenyl-1-butene	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethan-1-amine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine	PC_2733526
C26H29NO	371.5	CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N	(Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene, trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine	PC_2733526
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	950769-58-1	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib (AC220)	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC-220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC 220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib HCl	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC010220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib freebase	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC 010220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	ASP-2689	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	1-(5-(tert-butyl)isoxazol-3-yl)-3-(4-(7-(2-morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	7LA4O6Q0D3	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	CHEMBL576982	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-tert-Butylisoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	CHEBI:90217	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	950769-58-1 (free base)	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC-010220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	1132827-21-4 (HCl)	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morpholin-4-Yl)ethoxy]imidazo[2,1-B][1,3]benzothiazol-2-Yl}phenyl)urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	n-(5-tert-butyl-isoxazol-3-yl)-n'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea dihydrochloride	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	CHEMBL2386811	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	1-(5-(tert-Butyl)isoxazol-3-yl)-3-(4-(7-(2-morpholinoethoxy)-benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1- b)benzothiazol-2-yl)phenyl)urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1-b)benzothiazol-2-yl)phenyl)urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-N'-(4-(7-(2-(4-morpholinyl)ethoxy) imidazo(2,1-b)benzothiazol-2-yl)phenyl)-	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC220 compound	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC220,Quizartinib	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib [USAN]	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib [USAN:INN]	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	quizartinibum	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	UNII-7LA4O6Q0D3	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-(7-(2-(MORPHOLIN-4-YL)ETHOXY)IMIDAZO(2,1-B)(1,3)BENZOTHIAZOL-2-YL)PHENYL)UREA	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-TERT-BUTYLISOXAZOL-3-YL)-N'-(4-(7-(2-(MORPHOLIN-4-YL)ETHOXY)IMIDAZO(2,1-B)(1,3)BENZOTHIAZOL-2-YL)PHENYL)UREA	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-tert-Butylisoxazol-3-yl)-N'-[4-[7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib, 95%	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib, ac220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib, Free Base	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AC220 - Quizartinib	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	QUIZARTINIB [MI]	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib; PLX3397	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	QUIZARTINIB [INN]	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib (USAN/INN)	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Quizartinib, AC010220	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	SCHEMBL72923	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	QUIZARTINIB [WHO-DD]	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	MLS006011240	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	GTPL5658	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	DTXSID70241746	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	BCPP000443	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3244K09	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3244K10	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3244L09	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3265G09	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3265G10	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3265H09	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3265H10	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3654J20	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HMS3743G21	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	BCP02224	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	BDBM50300690	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	MFCD18074524	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NSC756647	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NSC799659	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NSC800857	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	s1526	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	ZINC43204002	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AKOS015891557	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	BCP9000223	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	CCG-264906	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	CS-0211	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	DB12874	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NSC-756647	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NSC-799659	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NSC-800857	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	SB16610	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NCGC00242493-01	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NCGC00242493-02	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	NCGC00242493-07	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	AS-16178	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	HY-13001	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	SMR004703000	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	FT-0687630	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	SW218131-2	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	D09955	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	J-524214	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	Q7272714	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	BRD-K93918653-001-01-4	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-{10-[2-(morpholin-4-yl)ethoxy]-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-4-yl}phenyl)urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-tert-Butyl-isoxazol-3-yl)-N''-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-Tert-butyl-isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-ylethoxy)imidazo(2,1-b) (1,3)benzothiazol-2-yl)phenyl)urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-(5-tert-Butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea	PC_24889392
C29H32N6O4S	560.7	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N	N-[5-(1,1-Dimethylethyl)-3-isoxazolyl]-N'-[4-[7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b]benzothiazol-2-yl]phenyl]urea	PC_24889392
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	TWS119	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	601514-19-6	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	TWS-119	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	3-[[6-(3-Aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	GSK inhibitor XII	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	3-((6-(3-AMINOPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)OXY)PHENOL	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	CHEMBL405759	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	3-{[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenol	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	Phenol, 3-[[6-(3-aminophenyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	3-[6-(3-amino-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy]-phenol	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	K00245	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	MLS006011018	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	GTPL5980	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	SCHEMBL5559045	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	GSK-3BETA INHIBITOR XII	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	CHEBI:91384	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	DTXSID00429550	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	EX-A151	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	BCPP000029	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	HMS3229M16	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	HMS3295C11	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	HMS3655M07	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	BCP02458	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	BDBM50325986	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	HSCI1_000361	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	MFCD09037535	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	s1590	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	ZINC11757505	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	AKOS016368735	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	AKOS028109054	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	GSK-3 beta Inhibitor XII, TWS119	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	CCG-206847	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	CS-0224	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	PB22215	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	NCGC00346638-01	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	NCGC00346638-07	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	AC-32688	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	AS-71680	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	HY-10590	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	SMR004702816	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	TWS119, >=98% (HPLC)	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	FT-0700339	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	SW219785-1	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	EC-000.2371	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	A869036	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	J-511451	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	BRD-K94176593-001-01-1	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	Q27089039	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	GSK-3beta Inhibitor XII, TWS119 - CAS 601514-19-6	PC_9549289
C18H14N4O2	318.3	Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1	C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O	VPVLEBIVXZSOMQ-UHFFFAOYSA-N	3-[6-(3-Amino-phenyl)-7H-pyrrolo[2,3,-d]pyrimidin-4-yloxy]-phenol	PC_9549289
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Talazoparib	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	1207456-01-6	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	BMN-673	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	BMN 673	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Talzenna	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Talazoparib (BMN 673)	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	BMN673	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	LT-673	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	9QHX048FRV	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	(8s,9r)-5-Fluoro-8-(4-Fluorophenyl)-9-(1-Methyl-1h-1,2,4-Triazol-5-Yl)-2,7,8,9-Tetrahydro-3h-Pyrido[4,3,2-De]phthalazin-3-One	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	3H-Pyrido(4,3,2-de)phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)-	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Talazoparib [USAN:INN]	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	UNII-9QHX048FRV	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	4pjt	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	2YQ	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	TALAZOPARIB [MI]	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Talazoparib(BMN-673)	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	TALAZOPARIB [INN]	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Talazoparib (USAN/INN)	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	TALAZOPARIB [USAN]	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Talazoparib (BMN-673)	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	TALAZOPARIB [WHO-DD]	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazine-3-one	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	GTPL8313	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	SCHEMBL2299348	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	CHEMBL3137320	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	BMN673,BMN-673	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	DTXSID001025928	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	AMY27900	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	EX-A1356	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	BDBM50084621	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	MFCD22666357	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	NSC767125	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	ZINC72318110	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	ZINC138126699	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	CS-0937	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	DB11760	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	NSC-767125	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	NCGC00390231-01	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	AC-30927	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	AS-57491	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	HY-16106	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	LT 00673	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	S7048	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	SW219655-1	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	D10732	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	A892079	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	EN300-20176329	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Q25100990	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Q27453411	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(1-methyl-1H-1,2,4-triazol-5-yl)-2,3,10-triazatricyclo[7.3.1.0,5,13]trideca-1,5,7,9(13)-tetraen-4-one	PC_135565082
C19H14F2N6O	380.4	Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one;BMN-673	PC_135565082
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	PHA-665752	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	477575-56-7	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	PHA 665752	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	PHA665752	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	TCMDC-125885	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(2R)-1-[[5-[(Z)-[5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE]METHYL]-2,4-DIMETHYL-1H-PYRROL-3-YL]CARBONYL]-2-(1-PYRROLIDINYLMETHYL)PYRROLIDINE	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(R,Z)-5-((2,6-dichlorobenzyl)sulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	0VXU5T5R3J	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	CHEMBL450786	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	CHEBI:90197	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	2H-Indol-2-one, 5-(((2,6-dichlorophenyl)methyl)sulfonyl)-3-((3,5-dimethyl-4-(((2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl)carbonyl)-1H-pyrrol-2-yl)methylene)-1,3-dihydro-, (3Z)-	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	PHA-665752 hydrate	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(2R)-1-[[5-[(Z)-[5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]c arbonyl]-2-(1-pyrrolidinylmethyl)pyrrolidine	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	UNII-0VXU5T5R3J	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	SCHEMBL93654	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	GTPL5700	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	DTXSID30197270	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	EX-A019	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	BCPP000112	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	HMS3269N19	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	HMS3413B20	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	HMS3677B20	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	AMY24192	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	ZINC3938668	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	BDBM50242737	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	MFCD07772270	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	NSC748798	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	NSC766271	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	PHA 665752 [WHO-DD]	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	AKOS015896678	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	CCG-264805	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	CS-0137	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	NSC-748798	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	NSC-766271	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(3Z)-5-[(2,6-dichlorophenyl)methanesulfonyl]-3-({3,5-dimethyl-4-[(2R)-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl}methylidene)-2,3-dihydro-1H-indol-2-one	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	AC-30914	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	HY-11107	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	S1070	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	EC-000.2429	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	A15588	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	1Y-7008	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	J-500906	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	BRD-K95435023-001-01-0	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	BRD-K95435023-001-10-1	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	Q27088356	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(3Z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(3Z)-5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-2H-indol-2-one	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	(3Z)-5-{[(2,6-dichlorophenyl)methane]sulfonyl}-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one	PC_10461815
C32H34Cl2N4O4S	641.6	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	5-(2,6-dichloro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-1,3-dihydro-indol-2-one	PC_10461815
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1247819-59-5	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	P22077	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	P 22077	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-[5-(2,4-Difluoro-phenylsulfanyl)-4-nitro-thiophen-2-yl]-ethanone	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	CHEMBL2159498	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-(5-(2,4-difluorophenylthio)-4-nitrothiophen-2-yl)ethanone	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-(5-((2,4-Difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	P-22077	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-{5-[(2,4-Difluorophenyl)sulfanyl]-4-nitrothiophen-2-yl}ethan-1-one	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-[5-[(2,4-Difluorophenyl)thio]-4-nitro-2-thienyl]-ethanone	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	SCHEMBL2680945	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	DTXSID40677376	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	HMS3653G09	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	BCP07858	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	EX-A1445	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethan-1-one	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	BDBM50393440	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	MFCD22580421	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	s7133	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	ZINC91696068	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	AKOS024458186	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	CCG-267643	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	CS-1860	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	NCGC00263556-10	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	AC-32695	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	AS-55923	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	DA-46729	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	HY-13865	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	FT-0707469	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	SW219709-1	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	EC-000.2542	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	J3.502.624J	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	C71981	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	EN300-6492974	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	A899043	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	Z1614727651	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-[5-(2,4-difluorophenyl)sulfanyl-4-nitro-2-thienyl]ethanone	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-[5-[(2,4-Difluorophenyl)thio]-4-nitro-2-thienyl]ethanon	PC_46931953
C12H7F2NO3S2	315.3	CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1	CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]	RMAMGGNACJHXHO-UHFFFAOYSA-N	1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl) ethanone	PC_46931953
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	219580-11-7	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	PD173074	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	PD 173074	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	PD-173074	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	A4TLL8634Y	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	CHEMBL189584	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	PD-0173074	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	CHEBI:63448	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1-tert-butyl-3-(2-(4-(diethylamino)butylamino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	2fgi	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	SMR000568412	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	C28H41N7O3	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	N-(2-((4-(DIETHYLAMINO)BUTYL)AMINO)-6-(3,5-DIMETHOXYPHENYL)PYRIDO(2,3-D)PYRIMIDIN-7-YL)-N'-(1,1-DIMETHYLETHYL)UREA	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	MFCD08705327	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	UNII-A4TLL8634Y	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	MLS001074892	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	MLS006011101	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	SCHEMBL177946	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	Pyrido[2,3-d]pyrimidine 12	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	BDBM6190	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	GTPL5037	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	DTXSID30176363	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	EX-A197	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	BCPP000121	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS2233G17	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS3265E09	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS3265E10	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS3265F09	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS3265F10	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS3371E08	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS3648A10	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HMS3654L09	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	BCP02368	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	ZINC3870533	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	NSC766908	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	s1264	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	AKOS016008595	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	BCP9001065	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	CCG-264881	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	CS-0182	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	NSC-766908	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	SB19382	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	NCGC00165863-01	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	NCGC00165863-02	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	NCGC00165863-17	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	AC-24850	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	AS-16310	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	BP162784	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	HY-10321	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	N-[2-[[4-(Diethylamino)butyl]amino] -6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-y l]-N'-(1,1-dimethylethyl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	FGF/VEGF Receptor Tyrosine Kinase Inhibitor	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	FT-0673540	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	P2474	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	SW218104-2	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	PD 173074, >=96% (HPLC), powder	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	A25450	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	SR-01000837541	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	J-014372	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	J-523314	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	SR-01000837541-2	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	Q27088276	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	FGF/VEGF Receptor Tyrosine Kinase Inhibitor, PD173074 - CAS 219580-11-7	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1-(tert-Butyl)-3-[7-[[4-(diethylamino)butyl]amino]-3-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1-tert-Butyl-3-(6-(3,5-dimethoxyphenyl)-2-(4-diethylaminobutylamino)pyrido(2,3-d)pyrimidin-7-yl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	N-(tert-Butyl)-N -[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	N-[2-[[4-(Dethylamno)butyl]amno]-6-(3,5-dmethoxyphenyl)pyrdo[2,3-d ]pyrmdn-7-yl]-n'-(1,1-dmethylethyl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5- dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1- dimethylethyl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	PD 173074;n-[2-[[4-(diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-n'-(1,1-dimethylethyl)urea	PC_1401
C28H41N7O3	523.7	CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	UREA, N-(2-((4-(DIETHYLAMINO)BUTYL)AMINO)-6-(3,5-DIMETHOXYPHENYL)PYRIDO(2,3-D)PYRIMIDIN-7-YL)-N'-(1,1-DIMETHYLETHYL)-	PC_1401
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	Sapitinib	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	848942-61-0	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AZD8931	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AZD-8931	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AZD8931 (Sapitinib)	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	2-(4-((4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)-n-methylacetamide	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	Sapitinib [INN]	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	Sapitinib [WHO-DD]	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	Sapitinib(AZD8931)	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	Sapitinib (AZD-8931)	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	CHEMBL2408045	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	UNII-3499328002	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	4-(3-chloro-2-fluoroanilino)-7-methoxy-6-((1-(n-methylcarbamoylmethyl)piperidin-4-yl)oxy)quinazoline	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	4-(3-chloro-2-fluoroanilino)-7-methoxy-6-[[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy]quinazoline	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	sapitinibum	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AZD 8931	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AZD-8931(Sapitinib)	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	Sapitinib (AZD8931)	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	MLS006011283	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	SCHEMBL202358	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	GTPL7717	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	DTXSID50233942	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	EX-A036	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	CHEBI:132986	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	BCPP000365	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	HMS3655J08	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	BCP02835	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	BDBM50437353	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	MFCD18385011	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	NSC758005	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	NSC800876	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	s2192	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	ZINC34587071	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AKOS025404911	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	BCP9000357	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	CCG-264744	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	CS-3951	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	DB12183	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	NSC-758005	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	NSC-800876	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	SB16597	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	NCGC00346573-01	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	NCGC00346573-05	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AC-32815	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	AS-17066	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	HY-13050	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	SMR004703033	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	FT-0700374	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	SW219260-1	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	J-513371	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	Q27088689	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	2-(4-{[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy}piperidin-1-yl)-N-methylacetamide	PC_11488320
C23H25ClFN5O3	473.9	CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	DFJSJLGUIXFDJP-UHFFFAOYSA-N	2-[4-[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide	PC_11488320
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	capivasertib	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	AZD5363	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	1143532-39-1	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	AZD-5363	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	AZD 5363	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	(S)-4-AMINO-N-(1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	4-Amino-N-[(1s)-1-(4-Chlorophenyl)-3-Hydroxypropyl]-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidine-4-Carboxamide	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	WFR23M21IE	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	4-Piperidinecarboxamide, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	UNII-WFR23M21IE	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	CHEMBL2325741	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	cc-638	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	Capivasertib?	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidine-4-carboxamide	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	4-PIPERIDINECARBOXAMIDE, 4-AMINO-N-((1S)-1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	Capivasertib (JAN/USAN)	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	CAPIVASERTIB [INN]	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	CAPIVASERTIB [JAN]	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	CAPIVASERTIB [USAN]	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	Capivasertib (AZD5363)	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	MLS006011179	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	CAPIVASERTIB [WHO-DD]	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	SCHEMBL390243	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	GTPL7709	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	AZC5363	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	DTXSID40150710	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	EX-A285	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	US10654855, Example 9	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	BDBM443385	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	MFCD22628785	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NSC764039	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NSC782347	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NSC799347	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	s8019	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	ZINC43204023	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	AKOS027323693	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	BCP9000365	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	CCG-268989	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	CS-1284	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	DB12218	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NSC-764039	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NSC-782347	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NSC-799347	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NCGC00345795-01	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NCGC00345795-04	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	AC-32685	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	HY-15431	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	SMR004702948	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	BCP0726000111	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	SW220158-1	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	D11371	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	J-514447	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	Q27074756	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	0XZ	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	4-AMINO-N-((1S)-1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1- (1H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE	PC_25227436
C21H25ClN6O2	428.9	NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	JDUBGYFRJFOXQC-KRWDZBQOSA-N	ALTERNATIVE ROUTE 1: (S)-4-AMINO-N-(1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE	PC_25227436
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	AZD2014	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	1009298-59-2	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Vistusertib	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	AZD-2014	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Vistusertib [INN]	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	AZD 2014	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	3-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-e]pyrimidin-7-yl]-N-methylbenzamide	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Vistusertib (AZD-2014)	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Vistusertib [USAN]	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	vistusertib (AZD2014)	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	0BSC3P4H5X	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	CHEMBL2336325	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	3-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Benzamide, 3-(2,4-bis((3S)-3-methyl-4-morpholinyl)pyrido(2,3-d)pyrimidin-7-yl)-N-methyl-	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	3-(2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido(5,6-e)pyrimidin-7-yl)-N-methylbenzamide	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	UNII-0BSC3P4H5X	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	cc-551	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Benzamide, 3-[2,4-bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-N-methyl-	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	3-[2,4-Bis((3S)-3-methyLmorpholin-4-yl)pyrido-[5,6-e]pyrimidin-7-yl]-N-methylbenzamide	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Vistusertib (JAN/INN)	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	VISTUSERTIB [JAN]	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Vistusertib [USAN:INN]	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	VISTUSERTIB [WHO-DD]	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	MLS006011011	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	SCHEMBL290672	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	GTPL7699	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	DTXSID20143584	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	EX-A155	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	AMY24188	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	BCP05748	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	BDBM50429701	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	MFCD22628784	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC767189	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC780879	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC787289	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC799345	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	s2783	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	ZINC59258964	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	AKOS024464879	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	BCP9000362	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	CCG-269370	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	CS-0701	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	DB11925	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC-767189	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC-780879	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC-787289	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NSC-799345	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NCGC00346698-04	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NCGC00346698-11	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	NCGC00346698-12	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	AC-28425	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	AS-16302	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	HY-15247	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	SMR004702809	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	SW219704-1	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	D10887	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	J-000268	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	Q27089147	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	3-[2,4-Bis-[(3S)-3-methyl-4-morpholinyl]-pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide	PC_25262792
C25H30N6O3	462.5	CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)c1	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N	3-[2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide	PC_25262792
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	71555-25-4	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	NSC 319726	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	1-Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene]hydrazide	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	NSC-319726	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	MLS002703052	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	1-Azetidinethiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	MU4ZZ5TGB7	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	NCIMech_000351	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	SCHEMBL9321800	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	AZETIDINE CARBOTHIOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	CHEMBL1709364	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	DTXSID50992103	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	HMS3653A13	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	BCP28106	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	AKOS028108727	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	SB19405	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	NCGC00347952-01	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	DA-41605	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	NCI60_002757	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	SMR001566858	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	D83146	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	NSC 319726;NSC-319726;ZMC1	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	1-Azetidinecarbothioic acid 2-[1-(2-pyridinyl)ethylidene]hydrazide	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	1-Azetidinecarbothioic acid, 2-[1-(2-pyridinyl)ethylidene]hydrazide	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	N-[1-(Pyridin-2-yl)ethylidene]azetidine-1-carbohydrazonothioic acid	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	1-Azetidinecarbothioic acid (2E)-2-[1-(2-pyridinyl)ethylidene]hydrazide	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	CC(=NNC(=S)N1CCC1)C2=CC=CC=N2	XDHBUMNIQRLHGO-UHFFFAOYSA-N	1973511-06-6	PC_3003931
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	NSC319726	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	71555-25-4	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	NSC 319726	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	CID 5351307	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	N'-(1-(Pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	(E)-N'-(1-(pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	NSC-319726	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	MLS002703052	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] hydrazide	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	AZETIDINE CARBOTHIOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	CHEMBL1976486	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	SCHEMBL17975335	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	EX-A2113	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	WCA55525	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	CCG-35689	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	s7149	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	ZINC17122727	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	AKOS024458479	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	CS-3542	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	AC-32867	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	AS-56104	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	HY-18634	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	LS-13960	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	A899911	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	BRD-K99170882-001-01-9	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-UKTHLTGXSA-N	Azetidine-1-carbothioic acid(1-pyridin-2-yl-ethylidene)hydrazide	PC_5351307
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	NSC 319726	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	71555-25-4	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	NSC-319726	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	1-Azetidinethiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	BRN 1467133	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	ZMC1	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	MLS006010247	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	CHEMBL3250982	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	1-Azetidinecarbothioic acid [1-(2-pyridinyl)ethylidene]hydrazide	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	ZINC5648662	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	AKOS026750499	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	SMR004701323	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	SW219844-1	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	N'-[1-(2-Pyridyl)ethylidene]-1-azetidinecarbothiohydrazide	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	N'-(1-(2-Pyridinyl)ethylidene)-1-azetidinecarbothiohydrazide	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	N-[(Z)-1-(2-pyridyl)ethylideneamino]azetidine-1-carbothioamide	PC_5921672
C11H14N4S	234.32	CC(=NNC(=S)N1CCC1)c1ccccn1	C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2	XDHBUMNIQRLHGO-LCYFTJDESA-N	Azetidinecarbothioic acid, {[1-(2-pyridinyl)ethylidene]} hydrazide	PC_5921672
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF-562271	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	717907-75-0	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF-562271 free base	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF562271	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF-00562271 free base	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF 562271	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	CHEMBL1084546	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-METHYL-N-[3-[[[2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-TRIFLUOROMETHYLPYRIMIDIN-4-YL]AMINO]METHYL]PYRIDIN-2-YL]METHANESULFONAMIDE	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	717907-75-0 (free base)	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	K5BX8ZA7UF	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-[3-[[[2-[(2,3-Dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl-methanesulfonamide	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF-562,271	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-methyl-N-(3-(((2-((2-oxoindolin-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)pyridin-2-yl)methanesulfonamide	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF562271 besylate;PF 562271 besylate	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-methyl-N-(3-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)pyridin-2-yl)methanesulfonamide	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	Kinome_3857	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	3bz3	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	UNII-K5BX8ZA7UF	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	MLS006011245	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	GTPL9381	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	SCHEMBL1206959	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	CHEBI:91370	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	DTXSID10471000	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	BCPP000114	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3244K07	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3244K08	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3244L07	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3265M11	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3265M12	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3265N11	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3265N12	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HMS3651D06	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	AMY21304	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	BCP01852	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	EX-A1385	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	BDBM50318884	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	MFCD16038299	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	NSC754356	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	NSC800849	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	s2890	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	ZINC34638188	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF-562271 [WHO-SDG]	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	AKOS015904318	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	CCG-265006	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	NSC-754356	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	NSC-800849	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF-562271- (FAK)	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	NCGC00242495-01	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	NCGC00242495-18	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	AC-27466	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	AS-16220	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	HY-10459	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	SMR004703004	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	FT-0711878	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	SW219484-2	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	J3.654.805C	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	PF-562,271-26	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	907M750	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	SR-00000003721	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	J-521695	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	SR-00000003721-2	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	BRD-K99545815-001-01-4	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	Q27163236	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	Methanesulfonamide, n-[3-[[[2-[(2,3-dihydro-2-oxo-1h-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]- n-methyl-	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	Methanesulfonamide, N-[3-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	n-[3-[[[2-[(2,3-dihydro-2-oxo-1h-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-n-methylmethanesulfonamide	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-[3-[[[2-[(2,3-H-2-oxo-1H-indol-5-yl)amino]-5-(trifluoroMe)-4-pyrimidinyl]amino]Me]-2-pyridinyl]-N-Me-methanesulfonamide 95%	PC_11713159
C21H20F3N7O3S	507.5	CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]methanesulfonamide	PC_11713159
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Linifanib	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	796967-16-3	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	ABT-869	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Linifanib (ABT-869)	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	AL-39324	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	ABT 869	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	RG-3635	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	ABT869	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	RG3635	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	CHEMBL223360	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	CO93X137CW	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	A-741439	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Urea, N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)-	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Linifanib [USAN]	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Kinome_532	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Linifanib [USAN:INN]	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	linifanibum	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	UNII-CO93X137CW	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Aminoindazole, 3	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	ABT-869,Linifanib	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	LINIFANIB [INN]	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Linifanib (USAN/INN)	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Linifanib - ABT-869	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	LINIFANIB [WHO-DD]	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	SCHEMBL93804	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	MLS006010276	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	GTPL5657	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	BDBM21079	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	CHEBI:91435	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	AMY7508	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	DTXSID40229834	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	EX-A014	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	cid_11485656	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	BCPP000446	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	HMS3244D06	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	HMS3244D10	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	HMS3244D14	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	HMS3295O19	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	HMS3654E03	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	BCP01726	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	ZINC6718813	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	MFCD11840918	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	NSC764237	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	NSC800783	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	s1003	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methyl-phenyl)urea	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	3-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	AKOS015919098	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N1-(2-fluoro-5-methylphenyl)urea	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	AL39324	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	BCP9000220	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	CCG-264767	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	CS-0115	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	NSC-764237	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	NSC-800783	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	PB34634	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	NCGC00250403-01	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	NCGC00250403-11	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	AC-24279	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	AL 39324	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	AS-16177	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	HY-50751	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	SMR004701346	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	FT-0670795	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	SW218116-2	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	EC-000.2119	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	A19393	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	D09635	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	J-503186	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	Q6554172	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	BRD-K99749624-001-01-3	PC_11485656
C21H18FN5O	375.4	Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1	CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N	MPVGZUGXCQEXTM-UHFFFAOYSA-N	1-[4-(3-azanyl-1H-indazol-4-yl)phenyl]-3-(2-fluoranyl-5-methyl-phenyl)urea	PC_11485656
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	WZ4003	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	1214265-58-3	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	WZ-4003	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)propionamide	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]propanamide	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	WZ 4003	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	N-[3-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-propanamide	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	GTPL8047	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	CHEMBL4303523	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	DTXSID601110474	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	HMS3653E12	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	HMS3674E13	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	BCP09218	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	EX-A2485	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	s7317	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	ZINC68711428	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	AKOS025142058	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	CCG-264737	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	CS-3258	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	NCGC00386309-05	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	NCGC00386309-07	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	AC-30128	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	AS-55863	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	HY-15802	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	WZ4003, >=98% (HPLC)	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	SW220181-1	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	A14312	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	F20676	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	A858198	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	EN300-20128562	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	Q27089237	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)propionamide	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	N-[3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]propanamide	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}propanamide	PC_72200024
C25H29ClN6O3	497.0	CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC	SDGJBAUIGHSMRI-UHFFFAOYSA-N	N-3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]propanamide	PC_72200024
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	CZC24832	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	1159824-67-5	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	CZC 24832	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	CZC-24832	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	5-(2-Amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	5-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(tert-butyl)pyridine-3-sulfonamide	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	5-{2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-N-tert-butylpyridine-3-sulfonamide	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	96ER5DQD27	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	CHEMBL2064571	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	5-(2-Amino-8-fluoro(1,2,4)triazolo(1,5-a)pyridin-6-yl)-N-(1,1-dimethylethyl)-3-pyridinesulfonamide	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	5-(2-Amino-8-fluoro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1,1-dimethylethyl)-3-pyridinesulfonamide	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	CS-0710	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	UNII-96ER5DQD27	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	SCHEMBL936070	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	GTPL6653	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	DTXSID50655226	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	HMS3652D16	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	BCP08888	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	EX-A2044	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	BDBM50389420	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	FD5029	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	MFCD22417090	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	s7018	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	ZINC84708455	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	AKOS024458285	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	CCG-268214	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	SB17239	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	NCGC00379179-07	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	AC-35914	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	AS-74725	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	DA-34921	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	HY-15294	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	CZC24832, >=98% (HPLC)	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	FT-0744862	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	SW219482-1	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	Q27076967	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	3-Pyridinesulfonamide, 5-(2-amino-8-fluoro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1,1-dimethylethyl)-	PC_42623951
C15H17FN6O2S	364.4	CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1	CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F	RXRZPHQBTHQXSV-UHFFFAOYSA-N	5-(2-Amino-8-fluoro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide	PC_42623951
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	AZD5582	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	AZD-5582	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	1258392-53-8	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	AZD 5582	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	CHEMBL3108827	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	GTPL7710	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	SCHEMBL2724968	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	EX-A1396	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	BDBM50495451	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	NSC787048	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	s7362	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	AKOS037648604	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	CCG-270609	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	NSC-787048	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	BS-14829	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	HY-12600	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	C72040	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	A858204	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	Q27074760	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	(2S,2'S)-1,1'-((S,2S,2'S)-2,2'-(((1S,1'S,2R,2'R)-(Hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(cyclohexane-3,1-diyl))bis(2-((S)-2-(methylamino)propanamido)acetyl))bis(pyrrolidine-2-carboxamide)	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	(S,S,2S,2'S)-N,N'-((1S,1'S,2R,2'R)-2,2'-(Hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(1-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)-pyrrolidine-2-carboxamide)	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	(S,S,2S,2'S)-N,N'-((1S,1'S,2R,2'R)-2,2'-(Hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(1-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)-pyrrolidine-2-carboxamide).	PC_49847690
C58H78N8O8	1015.3	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1c2ccccc2CC1OCC#CC#CCOC1Cc2ccccc2C1NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N	(S,S,2S,2a(2)S)-N,Na?((1S,1a(2)S,2R,2a(2)R)-2,2a?(Hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(1-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)-pyrrolidine-2-carboxamide).	PC_49847690
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	GSK2606414	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1337531-36-8	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	GSK 2606414	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	GSK-2606414	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	DPP2K6EFW8	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	CHEMBL2171124	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-(5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-(5-(4-Amino-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-(5-(4-Amino-7-methylpyrrolo(2,3-d)pyrimidin-5-yl)-2,3-dihydroindol-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-[5-(4-Amino-7-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-2-[3-(Trifluoromethyl)phenyl]ethanone	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	Ethanone, 1-(5-(4-amino-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl)-2-(3-(trifluoromethyl)phenyl)-	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	Ethanone, 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]-	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	CS-1428	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	UNII-DPP2K6EFW8	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	SCHEMBL868254	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	EX-A340	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	HMS3653O10	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	HMS3743C19	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	BCP06992	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	BDBM50396534	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	MFCD25976926	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	NSC781627	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	s7307	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	ZINC95550949	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	AKOS024458496	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	CCG-269247	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	EK-0047	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	NSC-781627	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	SB19408	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	NCGC00346070-09	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethan-1-one	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	7Methyl-5-(1-{[3-(trifluoroMethyl)phenyl]acetyl}-2,3-dihydro1Hindol-5-yl)7Hpyrrolo[2,3d]pyriMidin-4-aMine	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	AC-29016	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	DA-33592	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	HY-18072	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	FT-0716681	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	SW219646-1	PC_53469448
C24H20F3N5O	451.4	Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N	Q15409439	PC_53469448
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	PFI-3	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	1819363-80-8	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	PFI 3	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	PFI3	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	(E)-1-(2-hydroxyphenyl)-3-((1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	CHEMBL3752911	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	(2E)-1-(2-Hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	IN2080	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	PF-06687252	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	GTPL7915	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	SCHEMBL19730380	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	EX-A520	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	CHEBI:149519	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	BCP10158	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	BDBM50158688	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	MFCD28100807	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	NSC783642	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	s7315	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	ZINC96032872	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	AKOS024458481	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	CCG-267721	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	CS-3455	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	LM-3110	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	NSC-783642	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	PFI-3, >=98% (HPLC)	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	compound 16 [PMID: 27115555]	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	AC-35944	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	BP-25372	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	BS-15703	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	HY-12409	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	PF-6687252	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	J-690249	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	Q27088339	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	(2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-propen-1-one	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-5-yl]prop-2-en-1-one	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one	PC_78243717
C19H19N3O2	321.4	O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O	C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O	INAICWLVUAKEPB-QSTFCLMHSA-N	2-Propen-1-one, 1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-, (2E)-	PC_78243717
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	PCI-34051	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	950762-95-5	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	N-hydroxy-1-(4-methoxybenzyl)-1H-indole-6-carboxamide	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	PCI 34051	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	PCI34051	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	PUI52VXV61	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	CHEMBL2170177	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	N-Hydroxy-1-[(4-methoxyphenyl)methyl]-1H-indole-6-carboxamide	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	1H-Indole-6-carboxamide, N-hydroxy-1-((4-methoxyphenyl)methyl)-	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	UNII-PUI52VXV61	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	GKW	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	MLS006010285	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	SCHEMBL1608763	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	1-(4-Methoxybenzyl)-N-hydroxy-1H-indole-6-carboxamide	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	CHEBI:94192	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	DTXSID10647187	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	EX-A930	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	HMS3655H09	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	HMS3747K15	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	BCP03674	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	BDBM50397360	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	MFCD11114393	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	s2012	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	ZINC43178454	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	AKOS024458273	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	BCP9001056	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	CCG-267430	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	CS-1277	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	SB17080	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	NCGC00345492-02	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	NCGC00345492-11	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	AC-33033	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	AS-70349	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	BP-25403	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	HY-15224	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	SMR004701355	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	BCP0726000160	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	DB-102705	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	FT-0673533	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	SW220150-1	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	F17362	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	BRD-K88742110-001-01-2	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	Q27165952	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	1-[(4-methoxyphenyl)methyl]indole-6-carbohydroxamic acid	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	1-(4-methoxy-phenylmethyl)-1H-indole-6-carboxylic acid hydroxyamide	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	N-Hydroxy-1-[(4-methoxyphenyl)methy l]-1H-indole-6-carboxamide	PC_24753719
C17H16N2O3	296.32	COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO	AJRGHIGYPXNABY-UHFFFAOYSA-N	1072027-64-5	PC_24753719
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	Wnt-C59	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	1243243-89-1	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	Wnt-C59 (C59)	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	CHEMBL2139947	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	C25H21N3O	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	2-[4-(2-methylpyridin-4-yl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	2-[4-(2-Methyl-pyridin-4-yl)-phenyl]-N-(4-pyridin-3-yl-phenyl)-acetamide	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	C59	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	4-(2-Methyl-4-pyridinyl)-N-[4-(3-pyridinyl)phenyl]benzeneacetamide	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	2-[4-(2-methylpyridin-4-yl)phenyl]-n-[4-(pyridin-3-yl)phenyl]acetamide	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	WNTC59	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	MLS006011203	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	SCHEMBL1724609	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	GTPL12020	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	DTXSID60727009	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	EX-A289	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	HMS3652D18	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	BCP07008	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	BDBM50133864	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	CS2235	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	MFCD22201167	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	s7037	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	ZINC68247444	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	AKOS024458516	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	CCG-268399	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	CS-1420	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	SB19435	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	NCGC00263085-01	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	AC-30233	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	AS-72497	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	DA-28367	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	HY-15659	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	SMR004702972	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	FT-0700434	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	SW220173-1	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	J-690095	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	4-(2-Methyl-4-pyridinyl)-N-[4-(3-py ridinyl)phenyl]benzeneacetamide	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	4-(2-Methyl-4-pyridinyl)-N-[4-(3-pyridinyl)phenyl]-benzeneacetamide	PC_57519544
C25H21N3O	379.5	Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1	CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4	KHZOJCQBHJUJFY-UHFFFAOYSA-N	Benzeneacetamide, 4-(2-methyl-4-pyridinyl)-N-[4-(3-pyridinyl)phenyl]-	PC_57519544
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	Apabetalone	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	1044870-39-4	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	RVX-208	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-(4-(2-Hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	RVX-000222	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	RVX 208	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	RVX000222	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	Apabetalone [INN]	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-[4-(2-Hydroxyethoxy)-3,5-Dimethylphenyl]-5,7-Dimethoxyquinazolin-4(3h)-One	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	RVX 000222	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	8R4A7GDZ1D	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1H-quinazolin-4-one	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-[4-(2-Hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	Apabetalone [USAN:INN]	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	UNII-8R4A7GDZ1D	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	RVX208	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	1K0	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	QC-216	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	4j1p	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	4j3i	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	4mr4	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	4mr6	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	Apabetalone (USAN/INN)	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	APABETALONE [USAN]	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	APABETALONE [WHO-DD]	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	SCHEMBL145019	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	GTPL7034	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	SCHEMBL17002023	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	DTXSID90146502	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	HMS3653C10	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	HMS3744M09	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	HMS3886D13	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	BCP07787	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	EX-A1110	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	MFCD18633270	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	NSC771600	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	s7295	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	ZINC43199551	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	AKOS016008772	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	AKOS026750505	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	CCG-268298	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	CS-3239	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	DB12000	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	NSC-771600	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	SB17171	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1H)-quinazolinone	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	NCGC00356073-09	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	NCGC00356073-11	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	AC-28201	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	AS-35133	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	BP-23380	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	HY-16652	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	RVX-208(RVX-000222)	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	SW219327-1	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	D11131	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	EN300-7408723	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	J-001182	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	Q21099554	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-[4-(2-hydroxy-ethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3H-quinazolin-4-one	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-[4-(2-hydroxyethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3H-quinazolin-4-one	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one	PC_135564749
C20H22N2O5	370.4	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2	NETXMUIMUZJUTB-UHFFFAOYSA-N	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one	PC_135564749
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	GSK343	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	1346704-33-3	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	GSK 343	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	GSK-343	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	1-isopropyl-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-6-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole-4-carboxamide	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	CHEMBL2204995	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	1-(1-Methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-1H-indazole-4-carboxamide	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	1-isopropyl-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-6-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole-4-carboxamide.	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-1H-indazole-4-carboxamide	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-propan-2-ylindazole-4-carboxamide	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	1-isopropyl-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1H-indazole-4-carboxamide	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	compound 6 [PMID 24900432]	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	YSZC352	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	GTPL8240	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	SCHEMBL14716863	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	EX-A244	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	CHEBI:167693	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	HMS3740C09	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	BCP07777	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	WDC70433	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	BDBM50400778	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	MFCD25563250	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	ZINC95564006	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	AKOS025405231	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	CS-1626	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	NCGC00351480-11	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	AC-32763	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	AS-16513	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	DA-33588	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	GSK343, >=98% (HPLC)	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	HY-13500	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	FT-0767292	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	S7164	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	J3.544.025I	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	A887827	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	J-006589	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	Q27077897	PC_71268957
C31H39N7O2	541.7	CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C	CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C	ULNXAWLQFZMIHX-UHFFFAOYSA-N	1-i-Pr-N-((6-Me-2-oxo-4-propyl-1,2-dihydroPy-3-yl)Me)-6-(2-(4-methylpiperazin-1-yl)Py-4-yl)-1H-indazole-4-carboxamide	PC_71268957
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	1572414-83-5	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	ML323	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	ML-323	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amine	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	ML 323	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	CHEMBL3182437	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	2-(2-ISOPROPYLPHENYL)-5-METHYL-N-{[4-(1,2,3-TRIAZOL-1-YL)PHENYL]METHYL}PYRIMIDIN-4-AMINE	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	JDA	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	GTPL7898	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	SCHEMBL15847799	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	EX-A392	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	HMS3653L13	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	HMS3743A15	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	BCP09653	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	BDBM50069762	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	MFCD28099817	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	s7529	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	ZINC98023188	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	AKOS026750196	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	CCG-268461	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	SB19053	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	NCGC00262306-01	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	NCGC00262306-02	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	NCGC00262306-24	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	NCGC00262306-25	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	AC-33083	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	AS-16712	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	BM166458	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	DA-43946	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	HY-17543	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	FT-0700457	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	SW219291-1	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	A14030	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	J-690211	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	Q27087127	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	5-Methyl-2-[2-(1-methylethyl)phenyl]-N-[[4-(1H-1,2,3-triazol-1-yl)phenyl]methyl]-4-pyrimidinamine	PC_60167849
C23H24N6	384.5	Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1	CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C	VUIRVWPJNKZOSS-UHFFFAOYSA-N	N-{3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl}-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-4-biphenylcarboxamide	PC_60167849
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	AGI-6780	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	1432660-47-3	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	AGI6780	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonamide	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	AGI 6780	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	1-[5-(Cyclopropylsulfamoyl)-2-Thiophen-3-Yl-Phenyl]-3-[3-(Trifluoromethyl)phenyl]urea	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	1-[5-(CYCLOPROPYLSULFAMOYL)-2-(THIOPHEN-3-YL)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	MLS006011046	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	CHEMBL3392845	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	SCHEMBL15702521	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	DTXSID50744321	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	EX-A356	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	BDBM339679	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	HMS3653I21	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	HMS3744K17	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	HMS3865L13	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	BCP07383	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	FD5013	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	MFCD26097285	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	NSC781409	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	s7241	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	US10202339, Compound 124	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	ZINC95803998	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	AKOS024462890	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	CCG-269561	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	CS-1556	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	NSC-781409	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	SB19578	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	NCGC00347935-01	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	NCGC00347935-02	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	NCGC00347935-08	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	AC-35210	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	AS-55922	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	DA-35354	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	HY-15734	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	SMR004702838	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	FT-0764734	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	SW220033-1	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	Q27452174	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	S900006230	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	3-(5-(cyclopropylsulfamoyl)-2-(thiophen-3-yl)phenyl)-1-(3-(trifluoromethyl)phenyl)urea	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	N-Cyclopropyl-3-[3-[3-(trifluoromethyl)phenyl]ureido]-4-(3-thienyl)benzenesulfonamide	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	1K9	PC_71299339
C21H18F3N3O3S2	481.5	O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	CCAWRGNYALGPQH-UHFFFAOYSA-N	N-Cyclopropyl-4-(thiophen-3-yl)-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide	PC_71299339
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	OXYPHENISATIN ACETATE	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	115-33-3	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isocrin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Contax	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Acetophenolisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Acetalax	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Brocatine	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diphesatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diphesatine	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Acelax	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Bisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diacetyldiphenolisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Darmoletten	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isaphenin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Izafenin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Promassolax	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Puragaceen	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Purgaceen	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Sanapert	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Cirotyl	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Eulaxin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isacen	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isaphen	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Laxocol	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Lenavac	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Lisagal	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Prulet	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Oxyphenisatine di(acetate)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Prulet Liquitab	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Laxo-Isatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Tete-Lax	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diacetyldioxyphenylisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diacetoxydiphenylisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Oxyphenisatinacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diacetyldihydroxydiphenylisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	oxyphenisatine acetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diacetyl bis(hydroxyphenyl)isatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	oxyphenisatin diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	LA 96	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	4,4'-Diacetoxydiphenylisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diacetyl bis(p-hydroxyphenyl)isatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isatin, O,O'-diacetyldiphenol-	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3,3-Bis(p-acetoxyphenyl)oxindole	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Oxyphenisatin Acetate [USAN]	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isalax	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Acetphenolisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3,3-Bis(p-acetoxyphenyl)-2-indolinone	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NSC-59687	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate (ester)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NSC 117186	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Oxindole, 3,3'-bis(p-hydroxyphenyl)-, diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2H-Indol-2-one, 3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NSC-117186	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	U0Y1YAL65X	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Phenlaxinum	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	[4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3,3-Bis(4-acetoxyphenyl)oxindole	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NSC59687	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NSC117186	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	(2-Oxoindoline-3,3-diyl)bis(4,1-phenylene) diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NCGC00159420-02	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NCGC00159420-03	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NCGC00159420-04	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Diphesatinum	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate (ester)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Bisatinum	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	DSSTox_CID_3411	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	4-{3-[4-(acetyloxy)phenyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}phenyl acetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Endophenolphthalein	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isatin,O'-diacetyldiphenol-	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	DSSTox_RID_77014	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	DSSTox_GSID_23411	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Purgophen (VAN)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Oxyphenisatin acetate (USAN)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	(2-oxo-2,3-dihydro-1H-indole-3,3-diyl)dibenzene-4,1-diyl diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	CAS-115-33-3	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Oxindole,3'-bis(p-hydroxyphenyl)-, diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	EINECS 204-083-6	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	NSC 59687	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	UNII-U0Y1YAL65X	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2-Indolinone,3-bis(p-hydroxyphenyl)-, diacetate (ester)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2H-Indol-2-one,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Bydolax	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2H-Indol-2-one, 3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	4-(3-(4-(Acetyloxy)phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl)phenyl acetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Isocrin (TN)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	CBDivE_014318	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	SCHEMBL555117	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	4, 4'-Diacetoxydiphenylisatin	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	CHEMBL1402684	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	DTXSID9023411	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	SCHEMBL17471461	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	CHEBI:135638	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-2h-indol-2-one	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	OXYPHENISATIN ACETATE [MI]	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3, 3-Bis(p-acetoxyphenyl)oxindole	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	BCP15318	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	ZINC3831258	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Tox21_111651	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Tox21_111652	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	(2-oxo-2,3-dihydro-1H-indole-3,3-diyl)bis(4,1-phenylene) diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	STL257074	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	AKOS003617803	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	OXYPHENISATINE ACETATE [MART.]	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Tox21_111651_1	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	CS-6519	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	DB14627	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	MB00312	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	OXYPHENISATINE ACETATE [WHO-DD]	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	SB64142	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3, 3-Bis(p-acetoxyphenyl)-2-indolinone	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	AS-76657	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	HY-101714	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	D05320	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3, 3-Bis(p-hydroxyphenyl)-2-indolinone diacetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	EN300-18215750	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Q27290537	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	Z56791187	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	3, 3-Bis(p-hydroxyphenyl)-2-indolinone diacetate (ester)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	[4-[3-(4-acetoxyphenyl)-2-oxo-indolin-3-yl]phenyl] acetate	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2-Indolinone, 3, 3-bis(p-hydroxyphenyl)-, diacetate (ester)	PC_8269
C24H19NO5	401.4	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N	2H-Indol-2-one, {3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-}	PC_8269
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	actinomycin D	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin C1	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin IV	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Cosmegen	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Meractinomycin	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	50-76-0	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin I1	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomycinum	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dilactone actinomycin D acid	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	ActD	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin X1	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Oncostatin K	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	ACTINOMYCIN-D	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	ACT D	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NCI-C04682	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomycine [INN-French]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomycinum [INN-Latin]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomicina [INN-Spanish]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Lyovac cosmegen	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	GNF-Pf-2290	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomycin D	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Chounghwamycin B	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin 7	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin Aiv	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin I	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	MLS001424196	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	1CC1JFE158	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	CHEBI:27666	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin X 1	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin A IV	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Acto-D	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NSC-3053	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin C(sub1)	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dilactone actinomycindioic D acid	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NCGC00161622-02	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin I(sub 1)	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	SMR000469227	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DSSTox_CID_31	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin 11 cosmegen	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Cosmegen Lyovac	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Lyovac-Cosmegen	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	CCRIS 9	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DSSTox_RID_75330	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DSSTox_GSID_20031	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	HSDB 3220	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomicina	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomycine	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycindioic D acid, dilactone	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Antibiotic from Streptomyces parvullus	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin-(threo-val-pro-sar-meval)	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	CAS-50-76-0	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	ACT [antibiotic]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	X 97	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	MFCD00005033	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	AD (VAN)	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	GNF-PF-1977	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NSC3053	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	UNII-1CC1JFE158	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DTXSID9020031	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Glycopeptide, 4a	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NSC 3053	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomycin [USAN:USP:INN:BAN]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	EINECS 200-063-6	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	AI3-26374	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [MI]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [INN]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	UPCMLD-DP055	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [HSDB]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [USAN]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	SCHEMBL3844	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	ACTINOMYCIN D [JAN]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	CHEMBL1554	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [VANDF]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	ACTINOMYCIN D [IARC]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [MART.]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [USP-RS]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [WHO-DD]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [WHO-IP]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	cid_457193	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	ACTINOMYCIN D [WHO-IP]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	UPCMLD-DP055:001	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	UPCMLD-DP055:002	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	BDBM43866	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [ORANGE BOOK]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	HMS2052O17	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCIN [USP MONOGRAPH]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Tox21_111997	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Tox21_202482	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	BDBM50089528	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	s8964	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DACTINOMYCINUM [WHO-IP LATIN]	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	AKOS030228553	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Tox21_111997_1	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	CCG-101134	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	DB00970	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NC00384	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NCGC00090796-01	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NCGC00161622-01	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NCGC00260031-01	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	NCGC00271789-02	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	BP-25384	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Specific stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)-bis(carbonylimino(2-hydroxypropylidene)carbonyliminoisobutylidenecarbonyl-1,2-pyrrolidinediylcarbonyl(methylimino)methylenecarbonyl))bis(N-methyl-L-valine) dilactone	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis(carbonylimino(2-(1-hydroxyethyl)-1-oxo-2,1-ethanediyl)imino(2-(1-methylethyl)-1-oxo-2,1-ethanediyl)-1,2-pyrrolidinediylcarbonyl(methylimino) (1-oxo-2,1-ethanediyl)))bis(N-methyl-L-valine)di-xi-lactone	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	AB00514445-05	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	EN300-7480748	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	050A760	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Q186127	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	SR-01000763161	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	SR-01000763161-4	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin D, from Streptomyces sp., >=95% (HPLC)	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin D, from Streptomyces sp., ~98% (HPLC)	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	BRD-K70578146-001-01-8	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	BRD-K70578146-001-04-2	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Dactinomycin, United States Pharmacopeia (USP) Reference Standard	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin D, for fluorescence, >=90% (HPLC), from Streptomyces sp.	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	Actinomycin D, from Streptomyces sp., suitable for cell culture, >=95%	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	1-N,9-N-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-N,N''''''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-N,N''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-amino-N1,N9-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	3H-PHENOXAZINE-1,9-DICARBOXAMIDE, 2-AMINO-N,N'-BIS(HEXADECAHYDRO-6,13-DIISOPROPYL-2,5,9-TRIMETHYL-1,4,7,11,14-PENTAOXO-1H-PYRROLO(2,1-I)(1,4,7,10,13)OXATETRAAZACYCLOHEXADECIN-10-YL)-4,6-DIMETHYL-3-OXO-	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	N,N'-((2-AMINO-4,6-DIMETHYL-3-OXO-3H-PHENOXAZINE-1,9-DIYL)-BIS(CARBONYLIMINO(2-HYDROXYPROPYLIDENE)CARBONYLIMINOISOBUTYLIDENECARBONYL-1,2-PYRROLIDINEDIYLCARBONYL(METHYLIMINO)METHYLENECARBONYL))BIS(N-METHYL-L-VALINE) DILACTONE	PC_457193
C62H86N12O16	1255.4	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N	N1,N9-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide	PC_457193
C22H21BrO7	477.3	COc1cc(C2c3cc4c(cc3C(Br)C3COC(=O)C23)OCO4)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(C4=CC5=C(C=C24)OCO5)Br	VNDCSULMOTZMNT-KSRYTWCQSA-N	NSC35468	PC_234820
C22H21BrO7	477.3	COc1cc(C2c3cc4c(cc3C(Br)C3COC(=O)C23)OCO4)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(C4=CC5=C(C=C24)OCO5)Br	VNDCSULMOTZMNT-KSRYTWCQSA-N	Podophyllotoxin bromide	PC_234820
C22H21BrO7	477.3	COc1cc(C2c3cc4c(cc3C(Br)C3COC(=O)C23)OCO4)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(C4=CC5=C(C=C24)OCO5)Br	VNDCSULMOTZMNT-KSRYTWCQSA-N	NSC-35468	PC_234820
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	Dihydrorotenone	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	1',2'-Dihydrorotenone	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	6659-45-6	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	Rotenone, dihydro-	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	S,S-Dihydrorotenone	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	6',7'-Dihydrorotenone	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	538CX0LPPO	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	MLS000851173	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	NSC-53866	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	NSC351138	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	NSC-351138	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	SMR000457416	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	(1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, (2R,6aS,12aS)-	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	2-isopropyl-8,9-dimethoxy-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-6-one	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	Caswell No. 353	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	Dihydrorotenone (VAN)	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	UNII-538CX0LPPO	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	Rotenone, dihydro- (VAN)	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	[1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	NSC 53866	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	EPA Pesticide Chemical Code 071002	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	NSC 351138	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	CHEMBL267630	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	cid_243725	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	DTXSID5041227	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	SCHEMBL19035536	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	BDBM97131	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	HY-N4202	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	NSC53866	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	ZINC2008906	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	CCG-53362	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	MFCD01662620	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	AKOS024419416	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	CS-0032420	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	SR-01000642530	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	SR-01000767777	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	SR-01000642530-1	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	SR-01000642530-2	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	SR-01000767777-2	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	Q27261081	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	WLN: T G5 D6 B666 CV HO MO PO DU- L GU- KTTTT&J IY1&U1 SO1 TO1	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a-alphah)-one, 1,2,12,12a-alpha-tetrahydro-2-alpha-isopropyl-8,9-dimethoxy-	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aalphaH)-one, 1,2,12,12aalpha-tetrahydro-2alpha-isopropyl-8,9-dimethoxy-	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, (2R-(2alpha,6aalpha,12aalpha))-	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	[1]Benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropyl-8,9-dimethoxy-	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N	2-ISOPROPYL-8,9-DI-MEO-1,2,12,12A-4H-6AH-CHROMENO(3,4-B)FURO(2,3-H)CHROMEN-6-ONE	PC_243725
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@H]4C3=O)OC)OC	DTFARBHXORYQBF-ORYQWCPZSA-N	Dihydrorotenone	PC_73068
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@H]4C3=O)OC)OC	DTFARBHXORYQBF-ORYQWCPZSA-N	(1R,6S,13R)-16,17-Dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one	PC_73068
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@H]4C3=O)OC)OC	DTFARBHXORYQBF-ORYQWCPZSA-N	CHEBI:166646	PC_73068
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	Dihydrorotenone	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	MLS002667630	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	SMR001557390	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	CHEMBL1721226	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	BDBM97173	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	cid_4323685	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	DTXSID10859985	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	HMS3079A04	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	DTFARBHXORYQBF-UHFFFAOYSA-N	8,9-Dimethoxy-2-(propan-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one	PC_4323685
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	Dihydrorotenone	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	Spectrum_000777	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	SpecPlus_000155	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	Spectrum2_000181	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	Spectrum3_000216	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	Spectrum4_001622	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	Spectrum5_000403	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	BSPBio_001831	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	KBioGR_002023	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	KBioSS_001257	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	SPECTRUM201449	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	DivK1c_006251	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	SPBio_000101	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	CHEMBL3039021	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	KBio1_001195	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	KBio2_001257	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	KBio2_003825	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	KBio2_006393	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	KBio3_001331	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	CCG-38389	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	SDCCGMLS-0066396.P001	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	BRD-A18788061-001-03-7	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)C1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-XHEPWMPHSA-N	(1S,13S)-16,17-Dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one	PC_6708575
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-CZAAIQMYSA-N	Dihydrorotenone	PC_13845974
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-CZAAIQMYSA-N	ZINC6256915	PC_13845974
C23H24O6	396.4	COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-CZAAIQMYSA-N	(1R,6R,13S)-16,17-Dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one	PC_13845974
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	Gallibiscoquinazole	PC_353472
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	NSC601853	PC_353472
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	CHEMBL1969416	PC_353472
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	ZINC1607872	PC_353472
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	NSC-601853	PC_353472
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	methyl N-[6,7,8-trimethoxy-2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate	PC_353472
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	NCI60_004539	PC_353472
C15H20N4O8	384.34	COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N	N,N'-[(6-Methoxy-7-methoxy-8-methoxy-4-oxo-1,2,3,4-tetrahydroquinazoline)-2,2-diyl]bis(carbamic acid methyl) ester	PC_353472
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	Elephantin	PC_442205
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	CHEBI:520527	PC_442205
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	21899-50-3	PC_442205
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	(1aR,1bS,4aR,5S,10R,11aR)-11a-methyl-4-methylidene-3,8-dioxodecahydro-10,7-(metheno)furo[2,3-f]oxireno[d]oxacycloundecin-5(8H)-yl 3-methylbut-2-enoate	PC_442205
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	CHEMBL399907	PC_442205
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	C09402	PC_442205
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	Q27105162	PC_442205
C20H22O7	374.4	C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)CC1=CC(CC3(C)OC23)OC1=O	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	[(1R,3R,5R,6S,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate	PC_442205
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-AWNIVKPZSA-N	Sinularin	PC_5477029
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-AWNIVKPZSA-N	65669-72-9	PC_5477029
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-AWNIVKPZSA-N	(9E)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one	PC_5477029
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-AWNIVKPZSA-N	NSC285706	PC_5477029
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-AWNIVKPZSA-N	NSC-285706	PC_5477029
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-AWNIVKPZSA-N	5,6]octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, [1R-(1R*,4S*,6S*,9E,13S*,14R*)]-	PC_5477029
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C/CC[C@@]([C@@H]2C[C@H](CC[C@@]3([C@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-BZLNSZKZSA-N	Flexibilide	PC_6438436
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C/CC[C@@]([C@@H]2C[C@H](CC[C@@]3([C@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-BZLNSZKZSA-N	Sinularin	PC_6438436
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C/CC[C@@]([C@@H]2C[C@H](CC[C@@]3([C@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-BZLNSZKZSA-N	NSC 285706	PC_6438436
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C/CC[C@@]([C@@H]2C[C@H](CC[C@@]3([C@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-BZLNSZKZSA-N	65669-72-9	PC_6438436
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C/CC[C@@]([C@@H]2C[C@H](CC[C@@]3([C@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-BZLNSZKZSA-N	5,15-Dioxatricyclo(12.3.1.0(4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-	PC_6438436
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C/CC[C@@]([C@@H]2C[C@H](CC[C@@]3([C@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-BZLNSZKZSA-N	5,15-Dioxatricyclo(12.3.1.0(sup 4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-	PC_6438436
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-JZZWRREUSA-N	Flexibilide	PC_5458571
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-JZZWRREUSA-N	Sinularin	PC_5458571
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-JZZWRREUSA-N	65669-72-9	PC_5458571
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-JZZWRREUSA-N	NSC285706	PC_5458571
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-JZZWRREUSA-N	Q63396268	PC_5458571
C20H30O4	334.4	C=C1C(=O)OC2CC1CCC1(C)OC1CCC(C)=CCCC2(C)O	C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-JZZWRREUSA-N	(1R,4S,6S,9E,13S,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one	PC_5458571
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	Sabutoclax	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	1228108-65-3	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	BI-97C1	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	39Y89ZRK34	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	(1R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5,N5'-bis[(2R)-2-phenylpropyl]-[2,2'-binaphthalene]-5,5'-dicarboxamide	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	2,3,5-trihydroxy-7-methyl-N-[(2R)-2-phenylpropyl]-6-[1,6,7-trihydroxy-3-methyl-5-[[(2R)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	UNII-39Y89ZRK34	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	GTPL7920	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	CHEMBL1094250	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	SCHEMBL18213906	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	BI 97C1	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	DTXSID20153724	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	BDBM50316672	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	NSC787780	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	s8061	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	ZINC49615740	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	CCG-270386	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	NSC-787780	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	HY-15191	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	CS-0003805	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	SW219228-1	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	Q27088680	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	(2,2'-BINAPHTHALENE)-5,5'-DICARBOXAMIDE, 1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-N5,N5'-BIS((2R)-2-PHENYLPROPYL)-, (1R)-	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	(R)-1,1'',6,6'',7,7''-Hexahydroxy-3,3''-dimethyl-N5-((R)-2-phenylpropyl)-N5''-((R)-2-phenylpropyl)-2,2''-binaphthyl-5,5''-dicarboxamide	PC_46236925
C42H40N2O8	700.8	Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N	1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-N5-((R)-2-PHENYLPROPYL)-N5'-((R)-2-PHENYLPROPYL)-2,2'-BINAPHTHYL-5,5'-DICARBOXAMIDE (ATROPISOMERIC MIX)	PC_46236925
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	OF-1	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	919973-83-4	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	SGC OF-1	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	OF 1	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methylbenzenesulfonamide	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	CHEMBL3770173	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-Bromanyl-~{n}-(6-Methoxy-1,3-Dimethyl-2-Oxidanylidene-Benzimidazol-5-Yl)-2-Methyl-Benzenesulfonamide	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methylbenzenesulfonamide	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-methylbenzene-1-sulfonamide	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-Bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-methyl-benzenesulfonamide	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	OF1	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	5XE	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	GTPL9523	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	BCP14538	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	EX-A2269	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	BDBM50148549	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	MFCD26964046	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	s7681	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	ZINC28049103	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	AKOS000481248	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	CCG-269119	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	CS-3687	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	OF-1, >=98% (HPLC)	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	NCGC00384195-05	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	AC-36000	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	AS-16961	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	BP-25367	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	HY-12518	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	A16000	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	D83105	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	A901675	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	Q27456102	PC_35397514
C17H18BrN3O4S	440.3	COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C	CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C	YUNQZQREIHWDQT-UHFFFAOYSA-N	4-Bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methylbenzenesulfonamide	PC_35397514
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	mn-64	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	92831-11-3	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	MN 64	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	4'-Isopropylflavone	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	2-(4-Isopropylpheny)-4H-chroMen-4-one	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	2-(4-propan-2-ylphenyl)chromen-4-one	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	2-[4-(1-Methylethyl)phenyl]-4H-1-benzopyran-4-one	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	2-(4-isopropylphenyl)-4H-chromen-4-one	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	CHEMBL2431867	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	2-[4-(propan-2-yl)phenyl]-4H-chromen-4-one	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	Bio2B2	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	4bs4	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	Oprea1_520034	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	MN64	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	SCHEMBL2424789	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	EX-A919	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	HMS3747K09	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	ZINC135411	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	BCP16851	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	BDBM50441358	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	MFCD00829158	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	s6739	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	AKOS025142045	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	CS-5231	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	NCGC00387229-03	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	AS-16713	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	HY-19351	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	MN-64, >=98% (HPLC)	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	FT-0700411	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	2-(4-Isopropylphenyl)-4H-1-benzopyran-4-one	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	F13318	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	A903069	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	J-690394	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	Q27457131	PC_2802462
C18H16O2	264.3	CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2	PYTOHIUBXSJKQH-UHFFFAOYSA-N	A64	PC_2802462
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	SCH772984	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	942183-80-4	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	SCH-772984	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-yl)pyrrolidine-3-carboxamide	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	SCH 772984	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	CHEMBL3590107	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(3R)-1-[2-Oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(3r)-1-(2-Oxo-2-{4-[4-(Pyrimidin-2-Yl)phenyl]piperazin-1-Yl}ethyl)-N-[3-(Pyridin-4-Yl)-2h-Indazol-5-Yl]pyrrolidine-3-Carboxamide	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	38Z	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	GTPL8056	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	SCHEMBL12151489	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	EX-A296	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	CHEBI:167670	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	BDBM50094464	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	MFCD11878503	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	NSC775636	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	s7101	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	ZINC96174209	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	AKOS025402018	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	CS-1421	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	NSC-775636	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	NCGC00350780-05	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	NCGC00350780-10	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	NCGC00350780-11	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-y	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(R)-1-{2-Oxo-2-[4-(4-pyrimidin-2-yl-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-3-carboxylic acid (3-pyridin-4-yl-1H-indazol-5-yl)-amide	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	AC-28198	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	CID 24866313	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	HY-50846	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	F31041	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	A859514	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	Q27088760	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN-1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-1H-INDAZOL-5-YL]PYRROLIDINE-3-CARBOXAMIDE	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	(R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-	PC_24866313
C33H33N9O2	587.7	O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N	F3Z	PC_24866313
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	EPZ004777	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	1338466-77-5	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	1-(3-((((2R,3S,4R,5R)-5-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	EPZ 004777	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	EPZ-004777	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	CHEMBL2169919	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	7-{5-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]-5-Deoxy-Beta-D-Ribofuranosyl}-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	0QK	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	GTPL7377	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	SCHEMBL9274416	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	DTXSID30719178	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	CHEBI:124920	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	EX-A1764	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	BDBM50396023	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	Daclatasvir (BMS790052 pound(c)	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	NSC775852	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	NSC780043	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	s7353	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	ZINC89469833	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	AKOS022185751	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	CCG-269958	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	NSC 775852	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	NSC-775852	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	NSC-780043	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	NCGC00356803-03	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	NCGC00356803-12	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	AC-27388	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	BE162783	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	HY-15227	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	SW219207-1	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	C72346	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	A848928	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	Q27077205	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	3-[3-({[(2R,3S,4R,5R)-5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	7-[5-Deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-?-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_56962336
C28H41N7O4	539.7	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O	WXRGFPHDRFQODR-ICLZECGLSA-N	7-[5-Deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(3-((((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-tert-butylphenyl)urea	PC_56962336
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	IWP-2	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	686770-61-6	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	IWP 2	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	Wnt Inhibitor IWP-2	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	IWP-2 (GMP)	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	CHEMBL1257064	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N-(6-methylbenzo[d]thiazol-2-yl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	F0579-0037	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	C22H18N4O2S3	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N-(6-Methylbenzo[d]thiazol-2-yl)-2-(4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-ylthio)acetamide	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	CID 2155128	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	IWP2	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	inhibitor of Wnt Production-2	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	SCHEMBL12571758	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	DTXSID50366724	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	CHEBI:125649	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	HMS3652J22	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	BCP09534	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	EX-A2264	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	ZINC2719689	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	BDBM50428028	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	HY-13912G	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	MFCD04457599	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	NSC753606	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	s7085	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	AKOS024457669	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	CCG-208106	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	CS-1578	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	NSC-753606	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	SB19436	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	IWP-2, >=98% (HPLC)	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	NCGC00347948-01	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	NCGC00347948-11	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	AC-32858	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	AS-55819	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	HY-13912	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	CS-0626098	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	EU-0088954	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	FT-0670578	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	SW066807-3	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	J3.628.165K	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	A12707	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	AB00668695-01	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	BRD-K82924899-001-01-9	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	Q27216260	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N -(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2- d ]pyrimidin-2-yl)thio]-acetamide	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N -(6-Methyl-2-benzothiazolyl)-2-[(3a?4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2- d ]pyrimaidin-2-yl)thio]-acetamide	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide	PC_2155128
C22H18N4O2S3	466.6	Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4	WRKPZSMRWPJJDH-UHFFFAOYSA-N	N-(6-Methyl-2-benzothiazolyl)-2-[(3 ,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide	PC_2155128
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	leflunomide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	75706-12-6	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Arava	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	lefunamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomida	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomidum	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HWA 486	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HWA-486	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Repso	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomidum [INN-Latin]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	leflunomide medac	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SU101	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Arava (TN)	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SU-101	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide teva	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide winthrop	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SULOL	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HWA486	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide ratiopharm	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	RS-34821	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	L04AA13	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	CHEMBL960	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NSC-677411	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NSC-759864	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide)	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	MLS000069648	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	CHEBI:6402	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	G162GK9U4W	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-02	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SMR000058209	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide 100 microg/mL in Acetonitrile	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	CAS-75706-12-6	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	DSSTox_CID_3201	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	DSSTox_RID_76923	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	DSSTox_GSID_23201	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomida [INN-Spanish]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SU 101 (pharmaceutical)	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Lefunomide [Inn-Spanish]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide [INN]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HSDB 7289	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SR-01000000191	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	UNII-G162GK9U4W	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Arabloc	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Prestwick_87	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide [USAN:USP:INN:BAN]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	MFCD00867593	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SU 101	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Spectrum_000322	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [MI]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Opera_ID_1709	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Prestwick0_000772	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Prestwick1_000772	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Prestwick2_000772	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Prestwick3_000772	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Spectrum5_000850	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [JAN]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Lopac-L-5025	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [HSDB]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [USAN]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	L 5025	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [VANDF]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SCHEMBL5057	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [MART.]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BIDD:PXR0189	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Lopac0_000649	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BSPBio_000844	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	KBioSS_000802	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [USP-RS]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [WHO-DD]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide, Immunosuppressant	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	MLS001076267	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	DivK1c_000916	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide (JAN/USP/INN)	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SPECTRUM1503927	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SPBio_002783	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [EMA EPAR]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BPBio1_000930	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	GTPL6825	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	ZINC4840	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	DTXSID9023201	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS502N18	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	KBio1_000916	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	KBio2_000802	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	KBio2_003370	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	KBio2_005938	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [EP IMPURITY]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [ORANGE BOOK]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NINDS_000916	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS1570K06	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS1922M06	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS2090O12	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS2097K06	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS2235C07	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3262A19	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3268D12	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3371F21	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3414P03	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3654F07	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3673M17	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3678N21	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3714K06	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HMS3865I13	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [EP MONOGRAPH]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide for peak identification	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Pharmakon1600-01503927	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LEFLUNOMIDE [USP MONOGRAPH]	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	ALBB-019233	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BCP22241	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HY-B0083	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Tox21_110182	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Tox21_301873	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Tox21_500649	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BDBM50054601	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	DL-433	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NSC677411	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NSC759864	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	s1247	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	STL426823	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	AKOS000265193	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Tox21_110182_1	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	AC-6796	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BCP9000846	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	CCG-204736	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	CS-1781	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	DB01097	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	KS-1076	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	LP00649	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NSC 677411	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NSC 759864	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SB17287	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SDCCGSBI-0050629.P003	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	IDI1_000916	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-01	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-03	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-04	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-05	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-06	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-07	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-08	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-09	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-10	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-11	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-12	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-13	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-14	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-17	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-18	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00015610-30	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00022625-03	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00022625-04	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00022625-05	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00022625-06	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00022625-07	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00022625-08	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00255370-01	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	NCGC00261334-01	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BM164612	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	A9622	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	AB00052389	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	EU-0100649	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	FT-0621959	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	L0250	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SW196399-3	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	C07905	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	D00749	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	EN300-119495	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	MLS-0003109.0001	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	AB00052389-17	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	AB00052389-18	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	AB00052389_19	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	AB00052389_21	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	706L126	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Q248550	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Q-201289	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SR-01000000191-2	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SR-01000000191-4	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	SR-01000000191-7	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BRD-K78692225-001-03-9	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	BRD-K78692225-001-11-2	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Z228668542	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methyl-4-(4-trifluoromethyl-phenyl)aminocarbonylisoxazole	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methyl-4-(4-trifluoromethylphenyl)aminocarbonylisoxazole	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide, European Pharmacopoeia (EP) Reference Standard	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	N-(4-trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-Methyl-N-[4-(trifluoromethyl)-phenyl]isoxazole-4-carboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methylisoxazole-4-carboxylic acid (4-trifluoromethyl)-anilide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	N-(4-trifluoromethylphenyl)-5-methylisoxa-zole-4-carboxamide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Isoxazole-4-carboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide, United States Pharmacopeia (USP) Reference Standard	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide;Leflunomide	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	HWA486; RS-34821; SU101;HWA 486; RS 34821; SU 101	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide, Pharmaceutical Secondary Standard; Certified Reference Material	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	N-(4-(TRIFLUOROMETHYL)PHENYL) 5 METHYLISOXAZOLE-4-CARBOXAMIDE	PC_3899
C12H9F3N2O2	270.21	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N	Leflunomide for peak identification, European Pharmacopoeia (EP) Reference Standard	PC_3899
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	284028-89-3	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	XAV-939	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	XAV939	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	XAV 939	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	CHEBI:62878	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	C14H11F3N2OS	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	CHEMBL1086580	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	XAV-939 (GMP)	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	CID 2726824	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-[4-(Trifluoromethyl)phenyl]-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	NVP-XAV-939	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-3H-thiopyrano[4,3-d]pyrimidin-4(5H)-one	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	NVP-XAV 939	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	XAV	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	MFCD16879017	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	3kr8	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	3uh4	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	Maybridge3_005018	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	NVP-XAV939	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	MLS006012021	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	SCHEMBL7783488	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	TB3748-GMP	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	SCHEMBL15315468	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	DTXSID60369423	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	XAV939,XAV-939	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	BCPP000009	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HMS1445E02	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HMS3414D07	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HMS3648B17	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HMS3654O16	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HMS3678D07	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HMS3743E05	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	BCP02128	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	EX-A1760	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	BDBM50188594	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	BDBM50318567	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HY-15147G	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	NSC755761	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	s1180	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	ZINC13467799	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-[4-(trifluoromethyl)phenyl]-5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-ol	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	AKOS015954858	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	AKOS024457786	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	AKOS026750243	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	CCG-208105	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	CS-0494	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	NSC-755761	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	SB19432	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	IDI1_016405	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	NCGC00250397-01	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	NCGC00484998-01	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	AC-28393	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	CS-10386	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	HY-15147	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	SMR003874205	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	XAV939, >=98% (HPLC)	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	DB-067924	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	CS-0615627	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	FT-0675873	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	SW218311-2	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	X0077	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	A25698	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	EN300-6732792	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	SR-01000946403	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	J-511234	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	SR-01000946403-1	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	BRD-K12762134-001-01-3	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	BRD-K12762134-001-05-4	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	Q27132250	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	Z2235801832	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	6,8-Dihydro-2-[4-(trifluoromethyl)phenyl]-5H-thiopyrano[3,4-d]pyrimidine	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-(4-(Trifluoromethyl)phenyl)-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2-[4-(trifluoromethyl)phenyl]-1H,4H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one	PC_135418940
C14H11F3N2OS	312.31	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	4H-Thiopyrano[4,3-d]pyrimidin-4-one, 3,5,7,8-tetrahydro-2-[4-(trifluoromethyl)phenyl]-?	PC_135418940
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	1243244-14-5	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	LGK974	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	LGK-974	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	2-(2',3-Dimethyl-[2,4'-bipyridin]-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	WNT-974	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	WNT974	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	LGK 974	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	CHEBI:78030	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	LGK974 (WNT974)	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	CHEMBL3188386	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	U27F40013Q	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	2-[5-Methyl-6-(2-methyl-4-pyridyl)-3-pyridyl]-N-(5-pyrazin-2-yl-2-pyridyl)acetamide	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	[2,4'-Bipyridine]-5-acetamide, 2',3-dimethyl-N-[5-(2-pyrazinyl)-2-pyridinyl]-	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	2-(2',3-Dimethyl-(2,4'-bipyridin)-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	2-(2',3-dimethyl-2,4'-bipyridin-5-yl)-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	UNII-U27F40013Q	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	(2,4'-BIPYRIDINE)-5-ACETAMIDE, 2',3-DIMETHYL-N-(5-(2-PYRAZINYL)-2-PYRIDINYL)-	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	O50	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	PORCN Inhibitor IV	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	NVP-LGK974	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	MLS006011002	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	SCHEMBL1723611	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	WNT-974 [WHO-DD]	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	GTPL11167	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	HMS3653G11	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	BCP08495	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	EX-A1402	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	LGK-974 (WNT974)	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	BBL102809	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	BDBM50133870	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	CS3177	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	MFCD27501026	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	NSC777639	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	s7143	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	STL556617	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	ZINC95930187	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	AKOS025211913	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	CCG-264701	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	DB12561	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	NSC-777639	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	SB19314	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	NCGC00347950-01	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	NCGC00347950-02	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	NCGC00347950-07	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	NCGC00347950-11	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	AC-30231	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	HY-17545	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	MS-20504	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	SMR004702800	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	SW211728-2	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	J3.551.731F	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	A890524	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	AU-004/43508401	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	J-005066	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	Q27147596	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	LGK 974;LGK974; WNT974; WNT 974; WNT-974	PC_46926973
C23H20N6O	396.4	Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	XXYGTCZJJLTAGH-UHFFFAOYSA-N	2-(2',3-diMethyl-[2,4'-bipyridin]-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetaMide;LGK974	PC_46926973
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AZD-5153	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AZD5153	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	1869912-39-9	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	C7C7U6YEAO	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	CHEMBL4078100	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AZD 5153 [WHO-DD]	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AZD 5153	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	1869912-39-9 (free base)	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	(R)-4-(2-(4-(1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)-1,3-dimethylpiperazin-2-one	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	(3~{r})-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-B]pyridazin-6-Yl)piperidin-4-Yl]phenoxy]ethyl]-1,3-Dimethyl-Piperazin-2-One	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	2-Piperazinone, 4-(2-(4-(1-(3-methoxy-1,2,4-triazolo(4,3-b)pyridazin-6-yl)-4-piperidinyl)phenoxy)ethyl)-1,3-dimethyl-, (3R)-	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	UNII-C7C7U6YEAO	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	SCHEMBL17477306	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AMY16812	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	BCP20057	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	EX-A1317	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AZD5153, 6-hydroxy-2-naphthoate	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	BDBM50260093	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	MFCD30530420	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	NSC797938	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AKOS030627661	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AZD-5153, 6-hydroxy-2-naphthoate	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	ZINC575441177	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	NSC-797938	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AC-31599	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	AS-35242	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	J3.544.368A	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	Q27467599	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	(3r)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	(3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one	PC_118693659
C25H33N7O3	479.6	COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)C5C)cc4)CC3)nn12	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N	XNH	PC_118693659
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD5991	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD-5991	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	UNII-E3T5XXY9HX	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	2143061-81-6	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	2143010-83-5	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD-5991 Racemate	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	2143061-82-7	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	E3T5XXY9HX	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD-5991 (Racemate)	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	17-chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentazaheptacyclo[27.7.1.14,7.011,15.016,21.020,24.030,35]octatriaconta-1(36),4(38),6,11,14,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	2143061-81-6 (free base)	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	(Z)-16-chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	17-Chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentaazaheptacyclo(27.7.1.14.7.011,15.016,21.020,24.030,35)octatriaconta1(37),4(38),6,11,14,16,18,20,23,31,33,35-tridecaene-23-carboxylic acid	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD-5991 S-enantiomer	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	CHEMBL4297482	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	SCHEMBL19472011	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	EX-A2673A	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	GTPL11783	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD 5991 [WHO-DD]	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	US10196404, Example 1	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	US10196404, Example 2	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	US10196404, Example 3	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	BDBM333146	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	DTXSID601098260	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD 5991	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	BCP23513	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	BCP30972	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	BCP30973	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	EX-A2673	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	NSC807055	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	s8643	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	DB14792	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	HY-101533A	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	NSC-807055	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD-5991; AZD 5991	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	HY-101533	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	CS-0021671	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	CS-0077938	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	A16880	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD 5991 S-enantiomer ;AZD5991 S-enantiomer	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	A937371	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	AZD5991; AZD-5991; AZD 5991;CAS:2143061-81-6;2143061-82-7	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	(S)-16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	(S)-16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylicacid	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	22H-9,4,8-(Metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid, 5-chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-, (3aS)-	PC_131634760
C35H34ClN5O3S2	672.3	Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N	E4W	PC_131634760
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AZD1208	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	1204144-28-4	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AZD-1208	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	(R,Z)-5-((2-(3-aminopiperidin-1-yl)-[1,1'-biphenyl]-3-yl)methylene)thiazolidine-2,4-dione	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	CHEMBL2048872	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	S98NFM1378	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	(5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	UNII-S98NFM1378	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AZD 1208	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	5-[[2-[(3R)-3-Aminopiperidin-1-yl]biphenyl-3-yl]methylidene]-1,3-thiazolidine-2,4-dione	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	GTPL7698	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	SCHEMBL1580644	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AZD 1208 [WHO-DD]	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	DTXSID801026025	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	EX-A1804	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	BDBM50387298	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	MFCD25976757	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	NSC776066	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	NSC799343	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	s7104	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	ZINC84670255	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AKOS025404917	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AZ-1208	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	CCG-268400	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	CS-1668	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	NSC-776066	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	NSC-799343	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AC-33162	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	AS-35166	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	HY-15604	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	SW219766-1	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	A13203	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	Q27074698	PC_58423153
C21H21N3O2S	379.5	NC1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N	MCUJKPPARUPFJM-UWCCDQBKSA-N	(R,Z)-5-((2-(3-Aminopiperidin-1-yl)biphenyl-3-yl)methylene)thiazolidine-2,4-dione	PC_58423153
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	AZD1332	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	5-chloro-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N4-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	AZ 23	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	AZD 1332	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	AZD-1332	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	Kinome_3819	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	GTPL7700	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	CHEMBL2007421	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	SCHEMBL18281508	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	SCHEMBL20626754	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	AZ 23;AZ23	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	BCP01916	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	AM81046	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	A-495	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	FT-0774203	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	Q27074705	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	5-chloro-2-N-[1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine	PC_49831044
C17H19ClFN7O	391.8	CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1	CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F	LBVKEEFIPBQIMD-UHFFFAOYSA-N	5-chloro-2-N-[1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine.	PC_49831044
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	NVP-ADW742	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	475488-23-4	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	475489-15-7	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	ADW-742	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	ADW742	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	cis-NVP-ADW742	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	GSK 621659A	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	GSK-552602A	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-(3-phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-4-amine	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	NVP ADW 742	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	CHEMBL399021	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	MXS2N5862L	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-(3-(Benzyloxy)phenyl)-7-((1r,3r)-3-(pyrrolidin-1-ylmethyl)-cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-(3-(benzyloxy)phenyl)-7-((1r,3r)-3-(pyrrolidin-1-ylmethyl)cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-(3-(Benzyloxy)phenyl)-7-(cis-3-(pyrrolidin-1-ylmethyl)cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-(3-Benzyloxyphenyl)-7-[trans-3-[(pyrrolidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 5-(3-(phenylmethoxy)phenyl)-7-(trans-3-(1-pyrrolidinylmethyl)cyclobutyl)-	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	UNII-MXS2N5862L	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	Kinome_2540	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	SCHEMBL95142	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	SCHEMBL1983470	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	SCHEMBL1983472	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	CHEMBL1988370	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	DTXSID70431367	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	NVP-ADW742;ADW-742	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	HMS3654M17	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	BCP25985	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	EX-A2114	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	GSK 552602A	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	ZINC3963017	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	BDBM50219355	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	GSK-552602-A	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	NSC767746	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	s1088	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	ADW742;GSK 552602A	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	AKOS024458545	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	AKOS026750356	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	ZINC100015653	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	ZINC103588519	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	BCP9001005	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	CCG-269275	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	CS-0450	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	NSC-767746	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	SB19377	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	NCGC00346485-01	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	NCGC00386129-03	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	AC-32801	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	AS-56233	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	DA-42361	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	HY-10252	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	DB-070828	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	FT-0698450	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	FT-0707043	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	SW219932-1	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	C15838	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	J-516157	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	BRD-K15179513-001-01-8	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	Q27284280	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-(3-(benzyloxy)phenyl)-7-(3-(pyrrolidin-1-ylmethyl)cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-(3-Benzyloxyphenyl)-7-[trans-3-[(pyrrolidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine/NVP-ADW742	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	5-[3-(Phenylmethoxy)phenyl]-7-[trans-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_9825149
C28H31N5O	453.6	Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N	ADW	PC_9825149
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BMS-536924	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	468740-43-4	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BMS536924	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BMS 536924	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	4-[[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-3-[7-methyl-5-(4-morpholinyl)-1H-benzimidazol-2-yl]-2(1H)-pyridinone	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	40E3AZG1MX	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	CHEMBL401930	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	Insulin-like Growth Factor-1 Receptor Inhibitor	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	CS-0117	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	HY-10262	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	(S)-4-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)-3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	UNII-40E3AZG1MX	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	(S)-4-((2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)-3-(4-METHYL-6-MORPHOLINO-1H-BENZO(D)IMIDAZOL-2-YL)PYRIDIN-2(1H)-ONE	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	4-(((2S)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)-3-(7-METHYL-5-(4-MORPHOLINYL)-1H-BENZIMIDAZOL-2-YL)-2(1H)-PYRIDINONE	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	MLS006011171	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	SCHEMBL4132577	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	SCHEMBL15974144	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BDBM27879	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	CHEBI:91454	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BCP02116	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	EX-A4566	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	ZINC6718468	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	NSC761760	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	s1012	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BMS 536924 [WHO-DD]	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	AKOS024458339	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	AKOS025149514	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	ZINC140935730	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	CCG-269544	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	NSC-761760	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	NCGC00346460-02	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	NCGC00346460-04	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	NCGC00346460-05	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	NCGC00346460-06	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	4-[[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	AC-32997	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	AS-78828	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	SMR004702940	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	SW218124-2	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	D94990	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BMS-536924, >=98% (HPLC)	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	J-514217	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	BRD-K34581968-001-01-2	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	Q27163296	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	Q27258319	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	2(1H)-PYRIDINONE, 4-(((2S)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)-3-(7-METHYL-5-(4-MORPHOLINYL)-1H-BENZIMIDAZOL-2-YL)-	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(4-morpholinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one	PC_135440466
C25H26ClN5O3	480.0	Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N	4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[7-methyl-5-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one	PC_135440466
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Savolitinib	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Volitinib	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	1313725-88-0	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AZD-6094	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	HMPL-504	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AZD6094	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Savolitinib [INN]	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	HMPL504	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	(S)-1-(1-(imidazo[1,2-a]pyridin-6-yl)ethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazine	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	CHEMBL3334567	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	2A2DA6857R	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	1H-1,2,3-Triazolo(4,5-b)pyrazine, 1-((1S)-1-imidazo(1,2-a)pyridin-6-ylethyl)-6-(1-methyl-1H-pyrazol-4-yl)-	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	3-[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	4-{1-[(1S)-1-{imidazo[1,2-a]pyridin-6-yl}ethyl]-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl}-1-methyl-1H-pyrazole	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Orpathys	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	UNII-2A2DA6857R	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AZD6094, HMPL-504	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Volitinib(Savolitinib)	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AZD-6094Volitinib	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Savolitinib (USAN/INN)	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Savolitinib [USAN:INN]	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	SAVOLITINIB [USAN]	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	SAVOLITINIB [WHO-DD]	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	GTPL9918	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	HMPL 504	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	SCHEMBL12489208	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	EX-A845	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	DTXSID801111016	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AZD 6094	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	BDBM50023342	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	MFCD28359096	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	NSC782121	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	NSC800966	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	s7674	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AKOS030526403	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Savolitinib(AZD6094, HMPL-504)	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	ZINC149738712	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	CCG-267976	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	DB12048	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	NSC-782121	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	NSC-800966	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	compound 28 [PMID: 25148209]	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	NCGC00475727-01	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AC-35267	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	AS-35250	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	BV160378	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	HY-15959	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Savolitinib;Volitinib;HMPL-504;AZD-6094	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	A14419	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	D11139	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	EN300-7482485	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	J-690125	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Q27254463	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	Z3041529961	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	(3E)-5-Chloro-3-[(5-{3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl}-2-furyl)methylene]-1,3-dihydro-2H-indol-2-one hydrochloride	PC_68289010
C17H15N9	345.4	CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N	1-((S)-1-(IMIDAZO(1,2-A)PYRIDIN-6-YL)ETHYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-1H-(1,2,3)-TRIAZOLO(4,5-B)PYRAZINE	PC_68289010
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	UMI-77	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	518303-20-3	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	UMI77	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	MLS001196198	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	SMR000558497	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-((4-((4-bromophenyl)sulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	[(4-{[(4-bromophenyl)sulfonyl]amino}-1-hydroxy-2-naphthyl)thio]acetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-[[4-[[(4-Bromophenyl)sulfonyl]amino]-1-hydroxy-2-naphthalenyl]thio]-acetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	C18H14BrNO5S2	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	cid_992586	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	GTPL8105	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	UMI 77	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	CHEMBL1331211	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	SCHEMBL14842934	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	BDBM53290	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	EX-A762	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	HMS3748M13	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	BCP09696	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	ZINC4149952	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	MFCD03471890	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	NSC787960	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	s7531	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	STK238370	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-((4-(4-Bromophenylsulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	AKOS001057042	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	CCG-264731	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	CS-5046	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	NSC-787960	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	SB19399	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	NCGC00386409-01	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	AC-32978	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	AS-55879	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	DA-42224	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	HY-18628	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	UMI-77, >=98% (HPLC)	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	EU-0015042	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	FT-0700054	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	VU0066939-2	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	A14222	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	F17396	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	A857065	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	SR-01000800996	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	SR-01000800996-2	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	BRD-K33622393-001-10-1	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	BRD-K33622393-001-11-9	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	Q27089082	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-[[4-(brosylamino)-1-hydroxy-2-naphthyl]thio]acetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	[(4-{[(4-bromophenyl)sulfonyl]amino}-1-hydroxynaphthalen-2-yl)sulfanyl]acetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-[[4-[(4-bromophenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]acetic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-[4-[(4-bromophenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid	PC_992586
C18H14BrNO5S2	468.3	O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N	2-{[4-(4-bromobenzenesulfonamido)-1-hydroxynaphthalen-2-yl]sulfanyl}acetic acid	PC_992586
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	WIKI4	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	838818-26-1	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	WIKI-4	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	CID 2984337	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	2-(3-((4-(4-Methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	C29H23N5O3S	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	2-(3-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	2-[3-[[4-(4-Methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-1H-benz[de]isoquinoline-1,3(2H)-dione	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	4bfp	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	CBKinase1_012189	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	CBKinase1_024589	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	WIKI 4; WIKI-4	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	CHEMBL4303453	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	SCHEMBL17189791	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	HMS3653D09	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	BCP15357	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	EX-A1452	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	MFCD05885187	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	s7490	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	STK807778	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	ZINC16474687	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	AKOS002318597	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	CCG-269866	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	SB19437	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	NCGC00379214-02	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	AC-32989	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	AS-16601	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	HY-16910	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	SW219859-1	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	A14283	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	C76678	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	A864203	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	BRD-K19316653-001-01-2	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	Q27465517	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[3-[[4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	2-[3-[[4-(4-Methoxyphenyl)-5-(4-pyr idinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-1H-benz [de]isoquinoline-1,3(2H)-dione	PC_2984337
C29H23N5O3S	521.6	COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6	RNUXIZKXJOGYQP-UHFFFAOYSA-N	SWY	PC_2984337
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AGI-5198	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	1355326-35-0	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	IDH-C35	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-(o-tolyl)acetamide	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AGI 5198	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AGI-5198(IDH C35)	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	CHEMBL2180727	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AGI5198	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AGI-5198 (IDH-C35)	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	CS-1429	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	MLS006010252	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	GTPL9240	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	SCHEMBL15118942	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	DTXSID30718166	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	EX-A171	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	HMS3653K15	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	HMS3865J13	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AMY24200	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	BCP07382	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	BDBM50400272	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	MFCD24848688	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	NSC773096	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	s7185	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AKOS026674117	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	CCG-269371	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	NSC-773096	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	SB19576	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	NCGC00347934-01	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	NCGC00347934-09	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	AC-35827	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	BS-14968	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	DA-35355	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	HY-18082	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	SMR004701328	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	FT-0768624	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	SW220036-1	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	A854356	PC_56645356
C27H31FN4O2	462.6	Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	FNYGWXSATBUBER-UHFFFAOYSA-N	Q27074345	PC_56645356
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	mim1	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	509102-00-5	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	CHEMBL3265288	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	1,2,3-Benzenetriol, 4-[[[2-(cyclohexyliMino)-4-	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	4-((E)-(((E)-2-(Cyclohexylimino)-4-methylthiazol-3(2h)-yl)imino)methyl)benzene-1,2,3-triol	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	4-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzene-1,2,3-triol	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	SCHEMBL14680218	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	SCHEMBL15266339	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	SCHEMBL15266342	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	HMS1752D04	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	ZINC4498172	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	BDBM50013890	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	AKOS024458334	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	ZINC101116763	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	CS-3227	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	AS-16465	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	HY-16695	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	A16315	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	EN300-117307	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	A899734	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	SR-01000043908	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	SR-01000043908-1	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	Z56920485	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	4-[[[2-(Cyclohexylimino)-4-methyl-3(2H)-thiazolyl]imino]methyl]-1,2,3-benzenetriol	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C/C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-CQPAABLISA-N	4-({[2-(cyclohexylimino)-4-methyl-2,3-dihydro-1,3-thiazol-3-yl]imino}methyl)benzene-1,2,3-triol	PC_135691163
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C\C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-DLHVAJNCSA-N	mim1	PC_135875424
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C\C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-DLHVAJNCSA-N	SCHEMBL17420818	PC_135875424
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C\C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-DLHVAJNCSA-N	ZINC15913384	PC_135875424
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C\C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-DLHVAJNCSA-N	Inhibitor of Mcl-1Inhibitor of Mcl-1	PC_135875424
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C\C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-DLHVAJNCSA-N	ZINC101116769	PC_135875424
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C\C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-DLHVAJNCSA-N	4-((e)-((z)-2-(cyclohexylimino)-4-methylthiazol-3(2h)-ylimino)methyl) benzene 1,2,3-triol	PC_135875424
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1/N=C\C3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-DLHVAJNCSA-N	4-(E)-[[(2Z)-2-cyclohexylimino)-4-methyl-1,3-thiazol-3(2H)-yl]imino]methyl]benzene-1,2,3-triol	PC_135875424
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1N=CC3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-UHFFFAOYSA-N	mim1	PC_2431289
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1N=CC3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-UHFFFAOYSA-N	Oprea1_718426	PC_2431289
C17H21N3O3S	347.4	Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O	CC1=CSC(=NC2CCCCC2)N1N=CC3=C(C(=C(C=C3)O)O)O	RGGFUBMUOVFZEF-UHFFFAOYSA-N	ZINC242648757	PC_2431289
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	WEHI-539	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	1431866-33-9	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	CHEMBL3342187	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-Benzothiazol-2-Ylhydrazinylidene)-6,7-Dihydro-5h-Naphthalen-2-Yl]-1,3-Thiazole-4-Carboxylic Acid	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	(E)-5-(3-(4-(aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	WEHI 539	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	SCHEMBL18244614	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	DTXSID20744277	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	BDBM109236	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	AMY10375	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	EX-A1595	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	BDBM50030764	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	ZINC100285165	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	CS-1330	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	WEHI-539 ( CT-WE539)	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	NCGC00379003-03	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	NCGC00379003-04	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	NCGC00379003-09	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[8-[2-(2-benzothiazolyl)hydrazinylidene]-5,6,7,8-tetrahydro-2-naphthalenyl]-4-thiazolecarboxylic Acid	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	AC-35984	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	AS-16781	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	BW165875	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	HY-15607	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	A13005	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	EN300-19767266	PC_71297207
C31H29N5O3S2	583.7	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1	C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1	JKMWZKPAXZBYEH-JWHWKPFMSA-N	5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{8-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid	PC_71297207
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	YK-4-279	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	1037184-44-3	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	YK 4-279	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	CHEMBL2011500	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	4,7-Dichloro-1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2H-indol-2-one	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	4,7-dichloro-1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2H-indole-2-one	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	CS-0667	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	MLS006010813	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	SCHEMBL3486735	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	CHEBI:94301	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	DTXSID80660065	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	EX-A524	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	HMS3741G19	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	BCP13213	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	BDBM50379275	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	MFCD18382120	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	NSC765436	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	s7679	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	AKOS024457962	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	CCG-268236	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	NSC-765436	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	NCGC00346886-01	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	NCGC00346886-04	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	NCGC00346886-09	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	AC-33063	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	AS-17053	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	HY-14507	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	SMR004701745	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	FT-0753857	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	F51067	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	BRD-A62182663-001-02-2	PC_44632017
C17H13Cl2NO4	366.2	COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	HLXSCTYHLQHQDJ-UHFFFAOYSA-N	Q27166120	PC_44632017
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	AZD3759	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	1626387-80-1	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	zorifertinib	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	AZD-3759	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	AZD 3759	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	(R)-4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	CHEMBL3623290	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	67SX9H68W2	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	4-[(3-CHLORO-2-FLUOROPHENYL)AMINO]-7-METHOXYQUINAZOLIN-6-YL (2R)-2,4-DIMETHYLPIPERAZINE-1-CARBOXYLATE	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	(2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	ZORIFERTINIB [INN]	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	UNII-67SX9H68W2	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	ZORIFERTINIB [WHO-DD]	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	SCHEMBL16010006	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	GTPL10456	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	EX-A720	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	AMY10302	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	BDBM50123453	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	MFCD29058564	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	NSC788121	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	NSC800978	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	s7971	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	AKOS027327321	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	ZINC221149242	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	CCG-269329	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	CS-5029	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	DB14795	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	NSC-788121	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	NSC-800978	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	compound 1m [PMID: 26313252]	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	NCGC00483922-01	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	NCGC00483922-02	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	AC-29957	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	AS-74755	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	HY-18750	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	A882818	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	(2R)-2,4-Dimethyl-1-piperazinecarboxylic acid 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	(2R)-2,4-Dimethylpiperazine-1-carboxylic acid (4-(2-fluoro-3-chloroanilino)-7-methoxyquinazoline-6-yl) ester	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	(R)-4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate	PC_78209992
C22H23ClFN5O3	459.9	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1C	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	MXDSJQHFFDGFDK-CYBMUJFWSA-N	1-PIPERAZINECARBOXYLIC ACID, 2,4-DIMETHYL-, 4-((3-CHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL ESTER, (2R)-	PC_78209992
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	AZD6738	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	Ceralasertib	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	1352226-88-0	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	CHEMBL4285417	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	AZD-6738	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	BDBM50468001	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	BDBM60432	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	AZD 6738	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	VJM	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	Ceralasertib (USAN/INN)	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	GTPL9390	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	SCHEMBL9979340	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	EX-A1101	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	MFCD29472273	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	NSC780249	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	NSC800979	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	s7693	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	AKOS032960475	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	ZINC143911816	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	CCG-268794	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	CS-5187	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	NSC-780249	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	NSC-800979	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	(R)-imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	AC-32647	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	HY-19323	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	A15794	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	D11787	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	J-690141	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	(2R)-N-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)sulfonyl]-2-piperidinecarboxamide	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	(R)-3-methyl-4-(6-(1-((R)-S-methylsulfonimidoyl)cyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)morpholine	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	(R)-imino(methyl)(1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropyl)-lambda6-sulfanone	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-((R)-S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine	PC_54761306
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	AZD6738	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	Ceralasertib	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	1352226-88-0	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	AZD-6738	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	(S)-Imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	1352226-87-9	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	SCHEMBL9978968	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-((S)-S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	NSC777638	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	AKOS037648696	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	NSC-777638	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	NCGC00387711-02	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	NCGC00387714-01	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	BS-15245	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	J3.535.991E	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	A936421	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N	4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine	PC_86660217
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-UHFFFAOYSA-N	Ceralasertib	PC_76189844
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-UHFFFAOYSA-N	AZD6738	PC_76189844
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-UHFFFAOYSA-N	1352226-88-0	PC_76189844
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-UHFFFAOYSA-N	SCHEMBL20714683	PC_76189844
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-UHFFFAOYSA-N	FT-0700175	PC_76189844
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-UHFFFAOYSA-N	B0084-470841	PC_76189844
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	(S)-Ceralasertib	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	(S)-AZD6738	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	1352226-87-9	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	BDBM60432	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	AZD6738	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	SCHEMBL9979159	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	CHEMBL3648328	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-((S)-S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	EX-A3909	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	HY-19323A	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	NSC780250	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	ZINC96174406	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	NSC-780250	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	CS-0101459	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N	US8552004, 44	PC_54761305
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-GFVSTMSQSA-N	AZD6738	PC_129317940
C20H24N6O2S	412.5	CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1	CC1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-GFVSTMSQSA-N	1352226-88-0	PC_129317940
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AZD8186	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	1627494-13-6	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AZD-8186	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AIQ4OWD0RA	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	(R)-8-(1-((3,5-difluorophenyl)amino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	CHEMBL3408248	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	(R)-8-(1-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	4H-1-Benzopyran-6-carboxamide, 8-((1R)-1-((3,5-difluorophenyl)amino)ethyl)-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(morpholin-4-yl)-4-oxo-4H-chromene-6-carboxamide	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	1296270-45-5	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AZD 8186	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	4H-1-Benzopyran-6-carboxamide, 8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	UNII-AIQ4OWD0RA	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	GTPL8527	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	SCHEMBL1636956	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AZD 8186 [WHO-DD]	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AMY16571	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	EX-A1649	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	BDBM50070322	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	MFCD27987908	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	NSC777572	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	NSC799352	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	s7694	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AKOS025404922	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	ZINC116734639	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	CCG-269309	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	CS-4975	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	DB15029	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	NSC-777572	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	NSC-799352	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	NCGC00475728-03	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AC-29024	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	AS-74971	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	HY-12330	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	A14164	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	A882803	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	Q27074798	PC_52913813
C24H25F2N3O4	457.5	CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N	ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (AZD8186)	PC_52913813
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	Brilanestrant	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	GDC-0810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	1365888-06-7	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	ARN-810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	(E)-3-(4-((E)-2-(2-Chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	GDC 0810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	Brilanestrant [USAN]	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	GDC0810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	9MM2R1A06R	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	CHEMBL3581693	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	RG-6046	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	Brilanestrant; ARN-810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	BRILANESTRANT [INN]	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	Brilanestrant (USAN/INN)	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	UNII-9MM2R1A06R	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	SCHEMBL766995	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	BRILANESTRANT [WHO-DD]	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	ARN810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	ARN 810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	DTXSID701336037	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	BCP24812	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	EX-A2378	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	BDBM50090462	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	NSC787326	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	RG6046	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	s7855	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	ZINC114545220	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	CCG-269201	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	CS-4588	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	DB12253	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	NSC-787326	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	RG 6046	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	GDC-0810; Brilanestrant; ARN-810	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	AS-74849	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	Brilanestrant (GDC-0810, ARN-810)	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	HY-12864	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	A15958	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	D11264	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	A911587	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	Q27272746	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	(2E)-3-(4-((1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL- 5-YL)BUT-1-EN-1-YL)PHENYL)PROP-2-ENOIC ACID	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	(2E)-3-(4-((1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)-1-BUTEN-1-YL)PHENYL)-2-PROPENOIC ACID	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	(2E)-3-{4-[(1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL]PHENYL}PROP-2-ENOIC ACID	PC_56941241
C26H20ClFN2O2	446.9	CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N	(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid	PC_56941241
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	GNE-317	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	1394076-92-6	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	CHEMBL2178608	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	GNE 317	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	5-[6-(3-methoxyoxetan-3-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	5-(6-(3-methoxyoxetan-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	5-(6-(3-methoxyoxetan-3-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	GNE317	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	SCHEMBL19183441	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	GNE317; GNE 317	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	BCP23939	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	EX-A1558	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	BDBM50398399	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	s7798	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	ZINC72316319	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	CCG-268819	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	CS-3961	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	NCGC00481572-02	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	AC-35494	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	BS-15486	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	HY-12763	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	A13992	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	A886012	PC_70676303
C19H22N6O3S	414.5	COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC	XOZLHJMDLKDZAL-UHFFFAOYSA-N	5-[6-(3-methoxyoxetan-3-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine	PC_70676303
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	GSK2578215A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	1285515-21-0	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	GSK-2578215A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	GSK257821A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	5-(2-fluoropyridin-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	Benzamide, 5-(2-fluoro-4-pyridinyl)-2-(phenylmethoxy)-N-3-pyridinyl-	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	Q641JSF42X	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	CHEMBL2204495	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	BDBM50401284	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	LRRK2-kinase inhibitor	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	UNII-Q641JSF42X	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	itor GSK2578215A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	SCHEMBL10321469	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	BDBM482159	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	HMS3740I09	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	BCP07701	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	EX-A1118	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	GSK 257821A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	GSK-257821A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	GSK 2578215A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	GSK2578215-A	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	MFCD22665702	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	s7664	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	ZINC68267183	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	AKOS024458262	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	LRRK2 inhib1285515-21-0	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	CCG-268642	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	CS-3516	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	NCGC00370783-04	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	NCGC00370783-06	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	NCGC00370783-10	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	AC-35433	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	AS-72347	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	DA-33593	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	HY-13237	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	FT-0700156	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	F50677	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	J-005608	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	Q27287044	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	5-(2-Fluoro-4-pyridinyl)-2-(phenylmethoxy)-N-3-pyridinylbenzamide	PC_68107965
C24H18FN3O2	399.4	O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4	WCIGMFCFPXZRMQ-UHFFFAOYSA-N	5-(2-Fluoro-4-pyridinyl)-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide	PC_68107965
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	I-BRD9	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	1714146-59-4	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	GSK602	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	N'-[1,1-Bis(Oxidanylidene)thian-4-Yl]-5-Ethyl-4-Oxidanylidene-7-[3-(Trifluoromethyl)phenyl]thieno[3,2-C]pyridine-2-Carboximidamide	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-ethyl-4-oxo-7-(3-(trifluoromethyl)phenyl)-4,5-dihydrothieno[3,2-c]pyridine-2-carboximidamide	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	CHEMBL3769507	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	H1B	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	compound 45 [PMID 25856009]	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	GTPL8397	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	I-BRD9 (GSK602)	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	SCHEMBL21259435	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	SCHEMBL21752089	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	BCP17832	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	EX-A1639	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	BDBM50147620	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	AKOS027423696	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	ZINC231374665	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	CCG-269672	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	CS-5587	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	I-BRD9, >=98% (HPLC)	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	SB19813	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	AC-36030	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	AS-16366	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	BP-25356	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	HY-18975	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	S7835	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	J3.601.426A	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	C73296	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	A901788	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	Q27078019	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	5-Ethyl-4,5-dihydro-4-oxo-N-(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	N'-(1,1-dioxothian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	N-(1,1-dioxo-1lambda6-thian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]-4H,5H-thieno[3,2-c]pyridine-2-carboximidamide	PC_91668541
C22H22F3N3O3S2	497.6	CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O	CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F	WRUWGLUCNBMGPS-UHFFFAOYSA-N	N-[(Tetrahydro-2H-thiopyran 1,1-dioxide)-4-yl]-4-oxo-5-ethyl-7-[3-(trifluoromethyl)phenyl]-4,5-dihydrothieno[3,2-c]pyridine-2-carboxamidine	PC_91668541
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	Telomerase Inhibitor IX	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	MST-312	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	368449-04-1	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	CHEMBL2170856	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	N-[3-[(2,3-dihydroxybenzoyl)amino]phenyl]-2,3-dihydroxybenzamide	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	MST312	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	SCHEMBL17005794	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	CHEBI:95003	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	DTXSID90439103	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	ZINC3937611	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	BDBM50396097	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	HY-120145	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	MST-312, >=98% (HPLC)	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	CS-0077016	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	BRD-K19894101-001-01-6	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	N,N'-bis(2,3-Dihydroxybenzoyl)-1,3-phenylenediamine	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	Q27166764	PC_10385095
C20H16N2O6	380.3	O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	N-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]phenyl]-2,3-dihydroxybenzamide	PC_10385095
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	MIRA-1	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	72835-26-8	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NSC19630	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	1h-pyrrole-2,5-dione, 1-[(1-oxopropoxy)methyl]-	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NSC-19630	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	CHEMBL1374426	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	1-[(1-OXOPROPOXY)METHYL]-1H-PYRROLE-2,5-DIONE	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	N-(Propionyloxymethyl)maleimide; NSC 19630	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	(2,5-dioxopyrrol-1-yl)methyl propanoate	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NCIStruc1_000245	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NCIStruc2_000173	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	SCHEMBL1271868	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	DTXSID90280990	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	HMS3413L06	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	HMS3677L06	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NCI19630	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	XCA83526	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	ZINC1868509	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	BDBM50044626	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	CCG-37541	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NCGC00013261	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NSC758772	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	AKOS024457583	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	WRN Helicase Inhibitor, NSC 19630	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NSC-758772	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NCGC00013261-02	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NCGC00096380-01	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	BS-45665	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	NCI60_001640	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	HY-108639	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	CS-0029370	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	E74933	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	(2,5-dihydro-1H-pyrrol-1-yl)methyl propionate	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	1-[(1-Oxopropoxy)methyl]-1H-pyrrole 2,5-dione	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propanoate	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	1-[(1-Oxopropoxy)methyl]-1H-pyrrole 2,5-dione; MIRA-1	PC_227681
C8H9NO4	183.16	CCC(=O)OCN1C(=O)C=CC1=O	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	WRN Helicase Inhibitor, NSC 19630 - CAS 72835-26-8	PC_227681
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	Pyridostatin	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	1085412-37-8	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	4-(2-Aminoethoxy)-N2,N6-bis(4-(2-aminoethoxy)quinolin-2-yl)pyridine-2,6-dicarboxamide	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	Pyridostain	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	RR 82	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	RR-82	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	4-(2-aminoethoxy)-N2,N6-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	CHEMBL2349416	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	EX-A869	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	BCP07688	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	MFCD25976689	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	ZINC59151964	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	AKOS026750251	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	CS-1439	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	NCGC00357427-06	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	NCGC00357427-11	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	AC-36193	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	AS-16720	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	HY-15176	PC_25227847
C31H32N8O5	596.6	NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1	C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN	VGHSATQVJCTKEF-UHFFFAOYSA-N	4-(2-aminoethoxy)-N2,N6-bis[4-(2-aminoethoxy)-2-quinolinyl]-2,6-pyridinedicarboxamide, trifluoroacetate salt	PC_25227847
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	AMG319	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	AMG-319	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	1608125-21-8	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	(S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	19DG7G1U5Q	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	J3.391.906I	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	AMG 319	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	N-((1S)-1-(7-Fluoro-2-(2-pyridyl)quinoline-3-yl)ethyl)-9H-purine-6-amine	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	N-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	N-{(1s)-1-[7-Fluoro-2-(Pyridin-2-Yl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	UNII-19DG7G1U5Q	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	ACP319	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	4wwn	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	ACP-319	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	GTPL8917	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	SCHEMBL4185718	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	CHEMBL4303596	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	DTXSID501046373	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	EX-A1028	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	MFCD28902228	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	NSC787137	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	s7813	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	AKOS025404931	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	ZINC146560539	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	CCG-268471	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	CS-5266	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	NSC-787137	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	3-Quinolinemethanamine, 7-fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-, (alphaS)-	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	NCGC00481653-02	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	AC-35300	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	AS-35220	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	HY-12948	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	Q27074435	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	3-Quinolinemethanamine, 7-fluoro-a-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-, (aS)-	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	N-[(1S)-1-[7-Fluoro-2-(2-pyridinyl)-3-quinolinyl]ethyl]-9H-purin-6-amine	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	3-QUINOLINEMETHANAMINE, 7-FLUORO-.ALPHA.-METHYL-N-9H-PURIN-6-YL-2-(2-PYRIDINYL)-, (.ALPHA.S)-	PC_68947304
C21H16FN7	385.4	CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N	3VC	PC_68947304
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	280744-09-4	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SB 216763	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SB216763	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SB-216763	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	1H-Pyrrole-2,5-dione, 3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	CHEMBL102714	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SR-01000076052	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	MFCD09753369	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	Tocris-1616	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	Lopac-S-3442	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	Lopac0_000934	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SCHEMBL30251	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	MLS001074894	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	BDBM8296	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	cid_176158	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	GTPL8015	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	CHEBI:91421	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	DTXSID90182349	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	EX-A291	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	BCPP000073	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS2235H21	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3244K13	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3244K14	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3244L13	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3262L10	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3268I05	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3295K21	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3373J13	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3412N05	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3654K15	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3676N05	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3742M09	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HMS3884I03	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	AMY39885	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	ZINC1493890	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	Tox21_500934	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	s1075	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	AKOS015995247	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	CCG-101287	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	CS-0139	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	LP00934	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	PB17645	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SDCCGSBI-0050908.P002	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00015949-01	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00015949-02	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00015949-03	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00015949-04	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00015949-05	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00015949-19	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00025232-01	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00025232-02	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00025232-03	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	NCGC00261619-01	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	AC-32722	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	HY-12012	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SMR000568414	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	B5716	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	EU-0100934	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	FT-0688716	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SW219850-1	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	EC-000.2319	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	S 3442	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SB 216763, >98% (HPLC)	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	744D094	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	A819314	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	J-510466	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SR-01000076052-1	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	SR-01000076052-3	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	BRD-K59184148-001-04-2	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	Q27088702	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	GSK-3 Inhibitor IV, SB-216763 - CAS 280744-09-4	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	3-(2,4-Dichloro-phenyl)-4-(1-methyl-1H-indol-3-yl)-pyrrole-2,5-dione	PC_176158
C19H12Cl2N2O2	371.2	Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl	JCSGFHVFHSKIJH-UHFFFAOYSA-N	3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;SB-216763	PC_176158
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	VX-11e	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	896720-20-0	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	Vertex-11e	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	VTX-11e	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	TCS ERK 11e	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	VX 11e	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	4-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	NCGC00242487	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1h-Pyrrole-2-Carboxamide	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	pyrimidylpyrrole, 11e	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	CID 11634725	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	1H-Pyrrole-2-carboxamide, 4-[2-[(2-chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	CHEMBL583042	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	GTPL9375	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	SCHEMBL15859235	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	VX-11e(TCS ERK 11e)	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	BDBM35657	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	CHEBI:95049	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	DTXSID00469774	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	EX-A1570	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	s7709	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	ZINC35880991	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	AKOS024458172	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	CCG-269689	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	CS-0995	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	NCGC00242487-01	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	NCGC00242487-02	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	NCGC00242487-09	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	AC-29012	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	AS-16952	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	HY-14178	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	11e [PMID: 19827834]	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	C77026	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	A857184	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	BRD-K93725829-001-01-2	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	Q27166817	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	(S)-4-(2-((2-Chloro-4-fluorophenyl)amino)-5-methylpyrimidin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	1H-Pyrrole-2-carboxaMide, 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-;VX-11e	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide	PC_11634725
C24H20Cl2FN5O2	500.3	Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1	CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl	WUTVMXLIGHTZJC-OAQYLSRUSA-N	4-[2-[(2-Chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide	PC_11634725
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	1056901-62-2	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	AT13148	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	AT-13148	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	(S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	(1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	UNII-A49037RP1E	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	A49037RP1E	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	(+)-(S)-2-Amino-1-(4-chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethanol	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	SCHEMBL851471	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	CHEMBL3544960	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	BCP08961	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	EX-A1797	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	BDBM50242733	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	MFCD25976789	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	NSC771650	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	NSC799337	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	s7563	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	ZINC95920747	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	CCG-267617	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	CS-3136	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	NSC-771650	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	NSC-799337	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	SB16880	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	Benzenemethanol, alpha-(aminomethyl)-alpha-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)-, (alphaS)-	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	NCGC00386423-03	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	AC-32943	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	AS-35164	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	AT 13148	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	HY-16071	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	A895961	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	Q27273616	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	(S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethan-1-ol	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	(s)-2-amino-1-(4-chloro-phenyl)-1-[4-(1h-pyrazol-4-yl)-phenyl]-ethanol	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	(S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol; SCHEMBL851471	PC_24905401
C17H16ClN3O	313.8	NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N	BENZENEMETHANOL, .ALPHA.-(AMINOMETHYL)-.ALPHA.-(4-CHLOROPHENYL)-4-(1H-PYRAZOL-4-YL)-, (.ALPHA.S)-	PC_24905401
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	LJI308	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	1627709-94-7	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	CHEMBL3604794	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	LJI-308	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	2,6-difluoro-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	2,6-Difluoro-4-[4-[4-(4-morpholinyl)phenyl]-3-pyridinyl]phenol	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	SCHEMBL22374661	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	BCP24149	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	CQC70994	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	EX-A2325	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	BDBM50111384	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	s7871	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	ZINC334163679	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	CCG-268264	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	CS-5380	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	AC-32954	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	BS-15508	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	HY-19713	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	LJI308, >=98% (HPLC)	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	A14373	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	A905511	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	2,6-Difluoro-4-(4-(4-morpholinophenyl)pyridin-3-yl)phenol	PC_118704762
C21H18F2N2O2	368.4	Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F	C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F	YUYJEQHNWKQNBT-UHFFFAOYSA-N	2,6-difluoro-4-{4-[4-(morpholin-4-yl)phenyl]pyridin-3-yl}phenol	PC_118704762
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	AZ6102	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	1645286-75-4	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	AZ-6102	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	AZ 6102	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	CHEMBL4101890	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	SCHEMBL20956858	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	GTPL11779	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	BCP16242	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	EX-A2329	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	VQC28675	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	BDBM50232346	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	s7767	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	AKOS027470286	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	ZINC230478986	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	CCG-268985	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	CS-5610	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	AZ 6102;AZ-6102	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	compound 25 [PMID: 25815142]	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	AC-31438	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	BS-16114	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	HY-12975	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	J3.659.362H	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	2-(4-(6-((3S,5R)-3,5-Dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3Hpyrrolo[2,3-d]pyrimidin-4(7H)-one	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	2-(4-(6-(cis-3,5-Dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	2-[4-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl]phenyl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one	PC_135905416
C25H28N6O	428.5	Cc1cc(N2CC(C)NC(C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1	C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4	WCPTUQOMNJBIET-CALCHBBNSA-N	rel-2-[4-[6-[(3R,5S)-3,5-Dimethyl-1-piperazinyl]-4-methyl-3-pyridinyl]phenyl]-3,7-dihydro-7-methyl-4H-pyrrolo[2,3-d]pyrimidin-4-one	PC_135905416
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	1616391-87-7	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	GSK591	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	EPZ015866	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	GSK3203591	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	(S)-2-(Cyclobutylamino)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)isonicotinamide	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyridine-4-carboxamide	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	2-(CYCLOBUTYLAMINO)-N-[(2S)-3-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2-HYDROXYPROPYL]PYRIDINE-4-CARBOXAMIDE	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	2-(Cyclobutylamino)-N-[(2s)-3-(3,4-Dihydroisoquinolin-2(1h)-Yl)-2-Hydroxypropyl]pyridine-4-Carboxamide	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	GTPL8954	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	CHEMBL4542380	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	SCHEMBL16220740	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	BDBM178085	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	EX-A1117	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	MFCD30187524	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	s8111	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	AKOS030526610	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	ZINC521836465	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	CCG-268410	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	CS-5643	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	EPZ-015866	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	NCGC00483168-01	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	AC-35340	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	AS-74824	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	GSK591, >=97% (HPLC)	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	HY-100235	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	A14374	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	A901563	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	US9675614, 188	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	GSK591 (EPZ015866,GSK3203591)	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	GSK591; EPZ015866; GSK3203591	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	Q27077914	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	2-(Cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl]-4-pyridinecarboxamide;GSK591	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	4-Pyridinecarboxamide, 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl]-	PC_117072552
C22H28N4O2	380.5	O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	C1CC(C1)NC2=NC=CC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O	TWKYXZSXXXKKJU-FQEVSTJZSA-N	4Z2	PC_117072552
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK269962A	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	850664-21-0	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK 269962	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK-269962A	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK269962	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	925213-63-4	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK 269962A	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK-269962	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK269962B	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	Aminofurazanyl-azabenzimidazole 6n	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	F89KMM7TE2	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	CID 16095342	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(morpholin-4-yl)ethoxy]benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	Benzamide, N-(3-((2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo(4,5-C)pyridin-6-yl)oxy)phenyl)-4-(2-(4-morpholinyl)ethoxy)-	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo(4,5-C)pyridin-6-yl)oxy)phenyl)-4-(2-(4-morpholinyl)ethoxy)benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-[3-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy]phenyl]-4-[2-(4-morpholinyl)ethoxy]benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	Kinome_3843	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	UNII-F89KMM7TE2	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	MLS006010261	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	ROCK inhibitor GS269962A	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	CHEMBL220241	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GTPL8037	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	SCHEMBL1838346	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	BDBM14047	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	DTXSID40582496	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	EX-A674	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	BCP27824	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	MFCD09970310	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	NSC756162	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	ZINC14954335	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	AKOS024457925	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	BCP9000742	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	NSC-756162	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	NCGC00241982-01	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	NCGC00241982-02	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	NCGC00241982-03	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	NCGC00241982-09	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	AC-35298	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	AC-35503	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	AS-56202	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	BG164808	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	HY-15556	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-(3-{[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c] pyridin-6-yl]oxy}phenyl)-4-[2-(4-morpholinyl)ethoxy]benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	SMR004701334	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK269962; GSK269962A	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	FT-0700376	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	AB01092223-01	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	A860055	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	Q27077891	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	GSK 269962A;GSK-269962A;GSK269962;GSK 269962;GSK-269962	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(2-morpholinoethoxy)benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-{[2-(4-morpholinyl)ethyl]oxy}benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-[3-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy]phenyl]-4-[2-(4-morpholinyl)ethoxy]-benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-[3-[[2-(4-AMINOFURAZAN-3-YL)-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-6-YL]OXY]PHENYL]-4-[[2-(4-MORPHOLINYL)ETHYL]OXY]BENZAMIDE	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholinoethoxy)benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide	PC_16095342
C29H30N8O5	570.6	CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	N-{3-[2-(4-Amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yloxy]-phenyl}-4-(2-morpholin-4-yl-ethoxy)-benzamide	PC_16095342
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	Ro-3306	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	872573-93-8	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	RO 3306	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	5-(6-Quinolinylmethylene)-2-[(2-thienylmethyl)amino]-4(5H)-thiazolone	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	CHEMBL393929	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	SCHEMBL4874056	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	EX-A575	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	(Z)-5-(Quinolin-6-ylmethylene)-2-[(thiophen-2-ylmethyl)amino]thiazol-4(5H)-one	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	BDBM181049	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	HMS3229B19	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	XJB57393	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	BDBM50205472	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	MFCD17392573	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	s7747	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	ZINC28821265	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	AKOS024458017	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	CCG-268045	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	CS-3790	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	AC-33718	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	HY-12529	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	R0201	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	RO-3306, >=98% (HPLC)	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	BRD-K78373679-001-01-1	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	Q27463911	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	5-(Quinolin-6-ylmethylene)-2-(thiophen-2-ylmethylamino)thiazol-4(5H)-one	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	(Z)-5-(quinolin-6-ylmethylene)-2-(thiophen-2-ylmethylamino)thiazol-4(5H)-one	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	2-[(thiophen-2-ylmethyl)-amino]-5-[1-quinolin-6-yl-meth-(z)-ylidene]-thiazol-4-one	PC_135400873
C18H13N3OS2	351.4	O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1	C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1	XOLMRFUGOINFDQ-YBEGLDIGSA-N	(5Z)-5-[(quinolin-6-yl)methylidene]-2-{[(thiophen-2-yl)methyl]amino}-4,5-dihydro-1,3-thiazol-4-one	PC_135400873
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	587871-26-9	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU-55933	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU55933	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	ATM Kinase Inhibitor	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU 55933	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU-55933 (ATM Kinase Inhibitor)	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	CHEMBL222102	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	O549494L5D	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-Thianthren-1-yl-6-(morpholin-4-yl)-4H-pyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU-0064	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-(4-Morpholinyl)-6-(1-thianthrenyl)-4H-pyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	UNII-O549494L5D	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	ATM Kinase	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-morpholino-6-thianthren-1-yl-pyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	EC-000.1920	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	GTPL5928	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	SCHEMBL1984941	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	YSCH0305	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	CHEBI:91372	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	DTXSID40207516	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	EX-A074	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	BCPP000192	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3229A06	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3244O07	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3244O08	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3244P07	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3265M15	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3265M16	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3265N15	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3265N16	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3413P10	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3654E19	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3677P10	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HMS3743E03	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-(Methylsulfinyl)phenylboronicacid	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	AMY42294	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	BCP01834	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	ZINC3817388	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU55933 (ATM Kinase Inhibitor)	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	BDBM50208517	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	MFCD08276985	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	NSC787962	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	s1092	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	AKOS024457675	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU-55933 [MI]	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	BCP9000822	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	BK43330	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	CCG-206889	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	CS-0146	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	NSC-787962	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	SB19275	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	NCGC00263190-02	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	NCGC00263190-13	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	NCGC00263190-14	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	AC-23170	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	AS-19381	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	HY-12016	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU-55933,KU55933	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	FT-0707807	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	SW219818-1	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	A20592	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	F17387	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	KU-55933, >=98% (HPLC)	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-Thianthren-1-yl-6-morpholin-4-yl-pyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	871A269	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	CU-00000000010-1	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	J-510125	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	BRD-K25311561-001-01-6	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	Q27074594	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	2-(morpholin-4-yl)-6-(thianthren-1-yl)-4H-pyran-4-one	PC_5278396
C21H17NO3S2	395.5	O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	UF8	PC_5278396
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ACADESINE	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	2627-69-2	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AICAR	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AICA-riboside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Arasine	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AICA riboside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AIC-Riboside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadesina	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadesinum	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	GP-1-110	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AICAR (Acadesine)	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Protara	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	GP 1-110	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-beta-D-ribofuranosyl-4-imidazolecarboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-4-imidazolecarboxamide ribofuranoside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	CHEBI:28498	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-beta-ribofuranosyl-imidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NSC105823	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1beta-D-ribofuranosylimidazole-4-carboxyamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	53IEF47846	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NSC-105823	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	SCH-900395	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-imidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-amino-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	1H-Imidazole-4-carboxamide, 5-amino-1-.beta.-D-ribofuranosyl-	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Aminoimidazole-4-carboxamide riboside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	DSSTox_CID_26015	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	DSSTox_RID_81290	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	DSSTox_GSID_46015	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-.beta.-D-ribofuranosylimidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Aminoimidazole-4-carboxamide ribonucleoside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadra	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	MFCD00869751	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NSC 105823	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	SMR003435998	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	CAS-2627-69-2	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadesinum [INN-Latin]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadesina [INN-Spanish]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadesine [USAN:INN:BAN]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	UNII-53IEF47846	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ATH-001	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NCGC00096051-02	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	EINECS 220-097-5	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadesine (AICAR)	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ath001	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ACADESINE [INN]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ACADESINE [MI]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Acadesine (USAN/INN)	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ACADESINE [USAN]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ACADESINE [MART.]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ACADESINE [WHO-DD]	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-.beta.-D-ribofuranosyl-1H-imidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	MLS004774120	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	MLS006010069	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	SCHEMBL219336	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	GTPL5133	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	CHEMBL1551724	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	DTXSID5046015	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	EC Number 220-097-5	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Imidazole-4-carboxamide, 5-amino-1-beta-D-ribofuranosyl-	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	1H-Imidazole-4-carboxamide, 5-amino-1-beta-D-ribofuranosyl-	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AICA-riboside; LC-tDDA; CE30	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	EX-A7096	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	ZINC3798074	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Tox21_111551	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	HSCI1_000213	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NSC811018	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	s1802	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AICAR, >=98% (HPLC), powder	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AKOS016004462	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Tox21_111551_1	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	CCG-267038	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	CS-1951	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	DB04944	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NSC-811018	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-4-imidazolecarboxamide Riboside	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	SRI-4077-02	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	SRI-4077_04	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NCGC00165736-01	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NCGC00165736-03	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NCGC00165736-04	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	NCGC00165736-16	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AC-26840	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	AS-13787	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	HY-13417	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	GP-1-110-0	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-amino-1-ribofuranosylimidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	C04663	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	D02742	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	627A692	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-Amino-1-beta-ribofuranosylimidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	J-700140	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	Q4671562	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	N1-(?-D-Ribofuranosyl)-5-aminoimidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-AMINO-1-B-D-RIBOFURANOSYLIMIDAZOLE-4-CARBOXAMIDE	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	N(1)-(beta-D-ribofuranosyl)-5-aminoimidazole-4-carboxamide	PC_17513
C9H14N4O5	258.23	NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N	C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-.BETA.-D-RIBOFURANOSIDE	PC_17513
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	912445-05-7	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	ABT-888	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	Veliparib dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	Veliparib hydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	Veliparib (dihydrochloride)	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	ABT-888 dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	ABT 888 dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-4-carboxamide dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	ABT888	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	912445-05-7 (HCl)	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	(R)-2-(2-Methylpyrrolidin-2-yl)-1H-benimidazole-4-carboxamide dihydrochloride (VELIPARIB)	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	2-((2r)-2-methyl-2-pyrrolidinyl)-1h-benzimidazole-4-carboxamide dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	2-[(2R)-2-methyl-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide, dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	NSC-737664	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	Veliparib 2HCl	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	2-[(2R)-2-Methyl-2-pyrrolidinyl]-1H-benzimidazole-4-carboxamide dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	ABT888 hydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	A 861695 dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	Veliparib 2HCl; ABT-888	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	SCHEMBL2368883	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	SCHEMBL19328639	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	DTXSID30670432	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	Dimethyl 2,2-diphenylhexanedioate	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	HMS3295I11	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	HMS3426E03	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	AMY24139	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	BCP09427	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	EX-A2823	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	MFCD12407402	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	AKOS030231611	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	CS-0077	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	SB16479	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	AC-30346	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	AS-17023	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	HY-10130	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	DB-078941	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	A854345	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	J-505212	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	Veliparib dihydrochloride; ABT-888 dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide,dihydrochloride salt	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide--hydrogen chloride (1/2)	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride	PC_45480520
C13H18Cl2N4O	317.21	CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.Cl.Cl	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N	2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide dihydrochloride	PC_45480520
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	702675-74-9	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BX795	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BX-795	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BX 795	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-[3-[[5-IODO-4-[[3-[(2-THIENYLCARBONYL)AMINO]PROPYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-(3-((5-iodo-4-((3-(thiophene-2-carboxamido)propyl)amino)pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-(3-{[5-Iodo-4-({3-[(Thiophen-2-Ylcarbonyl)amino]propyl}amino)pyrimidin-2-Yl]amino}phenyl)pyrrolidine-1-Carboxamide	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-(3-(4-(3-(Thiophene-2-carbonylamino)propylamino)-5-iodopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BX7	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BX-795 hydrochloride	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	CID 10077147	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	MLS006011190	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	CHEMBL577784	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	GTPL8006	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	SCHEMBL3865995	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BDBM17051	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	CHEBI:91439	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	DTXSID50435186	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	EX-A262	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BCPP000310	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	HMS3244G15	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	HMS3244G16	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	HMS3244H15	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	HMS3651A07	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	HMS3672K09	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BCP01899	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	ZINC3986669	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BX795/BX-795	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	MFCD12546134	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	s1274	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	AKOS016369934	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BCP9000467	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	CCG-264884	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	CS-0259	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	SB13079	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	NCGC00250386-01	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	NCGC00250386-02	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	NCGC00250386-12	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	AC-32825	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	AS-16196	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	HY-10514	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-(3-(5-iodo-4-(3-(thiophene-2-carboxamido)propylamino)pyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	SMR004702959	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BCP0726000131	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BX-795, 3	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	FT-0700352	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	SW208681-3	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	675I749	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	A866640	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	J-522980	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	BRD-K47983010-001-01-3	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	Q27075609	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-	PC_10077147
C23H26IN7O2S	591.5	O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I	VAVXGGRQQJZYBL-UHFFFAOYSA-N	Pyrrolidine-1-carboxylic acid [3-(5-iodo-4-{3-[(thiophene-2-carbonyl)-amino]-propylamino}-pyrimidin-2-ylamino)-phenyl]-amide	PC_10077147
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	77307-50-7	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	SL 0101-1	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	SL0101	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	SL-0101	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	SL 0101	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	CHEMBL240954	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	SL0101-1	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	3ubd	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	SCHEMBL4371341	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	DTXSID801197567	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	kaempferol-3-O-(3,4-di-O-acetyl-alpha-L-rhamnopyranoside)	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	CDA30750	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	BDBM50241294	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	ZINC28875874	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	AC-29057	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	HY-15237	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	CS-0003824	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	Q27465395	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	kaempferol 3-O-(3'''',4''''-di-O-acetyl-alpha-L-rhamnopyranoside	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	Kaempferol 3-O-(3'',4''-di-O-acetyl-alpha-L-rhamnopyranoside)	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	(2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	(2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyldiacetate	PC_10459196
C25H24O12	516.4	CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C	SXOZSDJHGMAEGZ-IGKKHSBFSA-N	SL0	PC_10459196
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	JNK Inhibitor VIII	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	894804-07-0	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	TCS JNK 6o	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	N-(4-Amino-5-cyano-6-ethoxypyridin-2-yl)-2-(2,5-dimethoxyphenyl)acetamide	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	aminopyridine deriv. 2	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	N-(4-Amino-5-cyano-6-ethoxy-2-pyridinyl)-2,5-dimethoxybenzeneacetamide	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	Kinome_3020	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	JNK inhibitor compound 6o	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	SCHEMBL157014	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	CHEMBL210618	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	GTPL5998	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	Aminopyridine-Based Inhibitor 6o	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	BDBM15908	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	DTXSID20469650	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	HMS3229K06	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	EX-A4018	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	TCS JNK 6o(JNK Inhibitor VIII)	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	MFCD19690908	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	s7794	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	ZINC14959960	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	AKOS024457488	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	CCG-206859	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	NCGC00387087-01	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	AS-82214	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	HY-107598	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	CS-0028935	PC_11624601
C18H20N4O4	356.4	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N)C#N	KQMPRSZTUSSXND-UHFFFAOYSA-N	D80453	PC_11624601
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	GNF-2	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	778270-11-4	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3-(6-((4-(Trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)benzamide	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	GNF 2	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	GNF2	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3-[6-[[4-(Trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]benzamide	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	6D7Q9Z2W7T	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	CHEMBL483847	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3-(6-{[4-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)benzamide	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-yl)benzamide	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	Benzamide, 3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)-	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	SMR000463555	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3k5v	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	UNII-6D7Q9Z2W7T	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	Bcr-abl	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	MFCD09265253	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	Bcr-abl inhibitor GNF-2	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	MLS000911539	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	MLS003105943	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	MLS006010254	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	SCHEMBL925002	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	GTPL5935	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	CHEBI:91337	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	DTXSID40228443	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	EX-A100	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS2043N17	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS2220E13	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS3229A19	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS3265C23	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS3265C24	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS3265D23	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS3265D24	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS3333I20	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HMS3651P06	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	BCP06315	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	BDBM50325999	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	s2899	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	ZINC13130939	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	AKOS024458139	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	CCG-206737	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	SB19395	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	GNF-2, >=98% (HPLC), solid	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	NCGC00346808-01	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	NCGC00346808-12	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	AC-32816	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	AS-16705	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	DA-33598	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	HY-11007	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	Bcr-abl Inhibitor - CAS 778270-11-4	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	FT-0701979	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	SW219739-1	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	A865149	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	Q27074949	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	[3-(6)-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzamide]	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3-[6-(4-trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzamide	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	3-[6-(4-trifluoromethoxyphenyl-amino)-pyrimidin-4-yl]-benzamide	PC_5311510
C18H13F3N4O2	374.3	NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	STJ	PC_5311510
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	164658-13-3	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	CGP60474	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	CGP-60474	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-[[4-[2-[(3-Chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	GNF-Pf-88	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	CGP 60474	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	1-propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	16IP6G5MLC	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	MLS000911536	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	SMR000463552	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-((4-(2-(3-Chlorophenylamino)pyrimidin-4-yl)pyridin-2-yl)amino)propan-1-ol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	1-Propanol, 3-((4-(2-((3-chlorophenyl)amino)-4-pyrimidinyl)-2-pyridinyl)amino)-	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	UNII-16IP6G5MLC	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-((4-(2-((3-Chlorophenyl)amino)pyrimidin-4-yl)pyridin-2-yl)amino)propan-1-ol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	MLS003105942	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	CHEMBL300389	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	cid_644215	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	SCHEMBL1574530	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	REGID_for_CID_644215	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	BDBM65549	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	CHEBI:91339	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	DTXSID00167788	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HMS2043A05	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HMS2218H05	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HMS3265E05	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HMS3265E06	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HMS3265F05	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HMS3265F06	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HMS3340I17	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	BCP27893	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	EX-A4558	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	ZINC1541868	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	VCC459317	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	AKOS027470190	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	NCGC00346940-01	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	NCGC00346940-02	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	AS-76789	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	CGP-60474;CGP 60474	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	HY-11009	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	D97331	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	A910858	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	J-511450	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	Q27163218	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]- (9CI)	PC_644215
C18H18ClN5O	355.8	OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	8II	PC_644215
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	Cdk4/6 Inhibitor IV	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	359886-84-3	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	Cdk4/6InhibitorIV	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CHEMBL1242367	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CHEMBL2028998	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CGP82996	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CGP-82996	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	4-[[2-[(1-benzylindol-5-yl)amino]-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	4-[[6-(ethylamino)-2-[[1-(phenylmethyl)-5-indolyl]amino]-4-pyrimidinyl]amino]-1-cyclohexanol	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	SCHEMBL14040726	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	SCHEMBL14334441	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	SCHEMBL14334442	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CHEBI:91456	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	HMS2043N19	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	BDBM50378824	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	BDBM50503352	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CINK4, >=95% (HPLC)	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	AKOS016358850	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	ZINC101499579	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CGP-082996	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	NCGC00346952-01	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	HY-136726	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	CS-0133475	PC_24825971
C27H32N6O	456.6	CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1	CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O	YVXCDLCJCIDFHE-UHFFFAOYSA-N	Q27163298	PC_24825971
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	A-770041	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	869748-10-7	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	CHEMBL197603	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	U9855G2ZPR	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	A 770041	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	KIN001-111	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	1H-Indole-2-carboxamide, N-(4-(1-(trans-4-(4-acetyl-1-piperazinyl)cyclohexyl)-4-amino-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	N-(4-{1-[4-(4-Acetylpiperazin-1-Yl)-Trans-Cyclohexyl]-4-Amino-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-2-Methoxyphenyl)-1-Methyl-1h-Indole-2-Carboxamide	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	(Z)-N-(4-(1-((1r,4r)-4-(4-acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carbimidic acid	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	N-(4-(1-(4-(4-acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	N-[4-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	UNII-U9855G2ZPR	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	Kinome_3267	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	2c0o	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	MLS006010241	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	CHEMBL1970879	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	SCHEMBL15705796	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	CHEBI:91457	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	BCP30674	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	BDBM50175196	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	ZINC14210723	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	ZINC253387967	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	CS-0057	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	NCGC00346955-01	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	NCGC00386613-01	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	HY-11011	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	L2G	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	SMR004701317	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	E99003	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	A 770041; A770041	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	Q27163299	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	Q27290948	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	1140478-96-1	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	N-(4-{1-[trans-4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide	PC_9549184
C34H39N9O3	621.7	COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	N-[4-[1-[4-(4-acetyl-1-piperazinyl)cyclohexyl]-4-amino-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide	PC_9549184
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	WH-4-023	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	837422-57-8	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	2,6-dimethylphenyl (2,4-dimethoxyphenyl)(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	KIN001-112	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	CID 11844351	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	KIN112	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	HMSL10038	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	Dual LCK/SRC inhibitor	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	CHEMBL213100	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	GTPL8068	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	SCHEMBL5755186	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	2-aminopyrimidine carbamate, 28	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	BDBM17729	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	CHEBI:94644	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	HMS3265G11	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	HMS3653D15	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	HMS3750E09	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	BCP10090	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	EX-A1078	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	MFCD28138072	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	s7565	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	ZINC14965418	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	AKOS025142111	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	CCG-270086	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	CS-3292	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	NCGC00346959-01	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	NCGC00346959-08	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	NCGC00346959-09	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	2,6-Dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	AC-35223	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	AS-56013	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	HY-12299	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	FT-0700371	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	SW219350-1	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	A14117	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	WH-4-023, >=98% (HPLC)	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	A864222	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	J-690357	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	BRD-K50199947-001-01-8	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	Q27089223	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	2,6-dimethylphenyl 2,4-dimethoxyphenyl(2-(4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	2,6-Dimethylphenyl N-[2,4-bis(methyloxy)phenyl][2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	2,6-Dimethylphenyl-N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]carbamate	PC_11844351
C32H36N6O4	568.7	COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	N-{2-[3-(1-Piperazinylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}-2-quinoxalinecarboxamide	PC_11844351
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	BMS-509744	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	439575-02-7	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	BMS 509744	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	CHEMBL209148	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	Benzamide, N-(5-((5-((4-acetyl-1-piperazinyl)carbonyl)-4-methoxy-2-methylphenyl)thio)-2-thiazolyl)-4-(((1,2,2-trimethylpropyl)amino)methyl)-	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	5V7VG25953	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	UNII-5V7VG25953	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	GTPL9994	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	SCHEMBL14460651	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	CHEBI:91404	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	DTXSID201025700	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	BDBM50186460	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	BMS509744	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	compound 3 [PMID:16682193]	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	AKOS025142036	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	NCGC00229512-01	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	NCGC00229512-02	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	NCGC00229512-04	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	NCGC00229512-07	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	HY-11092	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	BMS 509744;BMS509744	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	Q27163261	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	N-(5-((5-((4-Acetyl-1-piperazinyl)carbonyl)-4-methoxy-2-methylphenyl)thio)-2-thiazolyl)-4-(((1,2,2-trimethylpropyl)amino)methyl)-benzamide	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	N-(5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-((3,3-dimethylbutan-2-ylamino)methyl)benzamide	PC_11467730
C32H41N5O4S2	623.8	COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1	CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	N-[5-[[5-[(4-Acetyl-1-piperazinyl)carbonyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[[(1,2,2-trimethylpropyl)amino]methyl]benzamide	PC_11467730
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	821794-90-5	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	CMK	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	1-(4-Amino-7-(3-hydroxypropyl)-5-(p-tolyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl)-2-chloroethanone	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	CHEMBL515416	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	1-[4-AMINO-7-(3-HYDROXYPROPYL)-5-(4-METHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-6-YL]-2-CHLORO-ETHANONE	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloroethanone	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	SCHEMBL12200862	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	DTXSID10586567	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	WHB79490	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	ZINC6718643	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	BDBM50248767	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	CS-0404	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	NCGC00485901-01	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloro-ethanone   (>90%)	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	HY-52101	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	FT-0661855	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	1-(4-Amino-7-(3-hydroxypropyl)-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-chloroethan-1-one	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-chloroethanone	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloroethan-1-one	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	Chloromethyl[4-amino-5-(4-methylphenyl)-7-(3-hydroxypropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-yl] ketone	PC_16663089
C18H19ClN4O2	358.8	Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CCl	PELFTNQHGSITLB-UHFFFAOYSA-N	Ethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloro-	PC_16663089
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	Z-LLNle-CHO	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	Z-Leu-Leu-Nle-aldehyde	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	Cbz-leucinyl-leucinyl-norleucinal	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	133407-83-7	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	Z-Leu-Leu-Nle-CHO	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	Gamma-secretase inhibitor	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	SCHEMBL5065187	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	NSC744338	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	ZINC15722248	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	NSC-744338	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	HY-120234	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	CS-0077266	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	407S837	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N	N-carbobenzoxy-l-leucinyl -l-leucinyl-l-norleucinal	PC_11754711
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-ATTQYFOMSA-N	Z-LLNle-CHO	PC_16760646
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-ATTQYFOMSA-N	gamma -Secretase Inhibitor I	PC_16760646
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-ATTQYFOMSA-N	133407-83-7	PC_16760646
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	gamma-Secretase Inhibitor I	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	133407-83-7	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	Z-LLNle-CHO	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	benzyl N-[4-methyl-1-[[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	SCHEMBL5065186	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	DTXSID60617658	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	MFCD02179375	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	J-006369	PC_21741774
C26H41N3O5	475.6	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-UHFFFAOYSA-N	N-[(Benzyloxy)carbonyl]leucyl-N-(1-oxohexan-2-yl)leucinamide	PC_21741774
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	A-443654	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	552325-16-3	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	A 443654	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	(2s)-1-(1h-Indol-3-Yl)-3-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}propan-2-Amine	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	A443654	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	(2S)-1-(1H-indol-3-yl)-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	(S)-1-(1H-Indol-3-yl)-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan2-amine	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	(S)-1-(5-(3-Methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	L20	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	indazole-pyridine, 4	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	5-indazolyl pyridine 3	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	a-443654 dihydrochloride	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	MLS002232275	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	SCHEMBL570604	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	A-4436554	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	CHEMBL379300	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	GTPL8204	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	BDBM15131	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	CHEBI:91351	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	DTXSID20436347	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	EX-A7113	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	ZINC16052239	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	CS-0405	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	DB08073	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	NCGC00347278-01	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	NCGC00347278-02	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	HY-10425	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	SMR001307829	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	A-654	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	A 443654;A443654	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	Q27074073	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-1H-indazol-5-yl)-3-pyridyl]oxy]propan-2-amine	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	2-(1H-Indol-3-yl)-1-[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxymethyl]ethylamine	PC_10172943
C24H23N5O	397.5	Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	911305-87-8	PC_10172943
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	ERK5-IN-1	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	1234479-76-5	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	XMD8-85	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	CHEMBL1673039	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-5,11-dimethyl-	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	2-[2-methoxy-4-(4-methyl-1-piperazinyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	SCHEMBL618262	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	CHEBI:91375	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	HMS3295A11	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	BCP19788	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	EX-A3073	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	BDBM50337127	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	ZB1553	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	ZINC66066276	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	ERK5-IN-1  XMD 8-85	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	CS-4938	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	XMD17-109 (ERK5-IN-1)	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	AC-36310	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	BS-14786	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	HY-14403	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	A16232	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	D71039	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	A920606	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	BRD-K64857848-001-01-5	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	Q27163240	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5,11-dimethyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	6H-?Pyrimido[4,?5-?b]?[1,?4]?benzodiazepin-?6-?one, 5,?11-?dihydro-?2-?[[2-?methoxy-?4-?(4-?methyl-?1-?piperazinyl)?phenyl]?amino]?-?5,?11-?dimethyl-	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one,5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-5,11-dimethyl-	PC_46844147
C25H29N7O2	459.5	COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC	DDTPGANIPBKTNU-UHFFFAOYSA-N	X7Y	PC_46844147
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	salubrinal	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	405060-95-9	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	J8PSF5Z8KJ	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	N-(2,2,2-trichloro-1-(3-(quinolin-8-yl)thioureido)ethyl)cinnamamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(E)-N-(2,2,2-Trichloro-1-(3-(quinolin-8-yl)thioureido)ethyl)cinnamamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(2E)-3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(2E)-3-PHENYL-N-(2,2,2-TRICHLORO-1-(((8-QUINOLINYLAMINO)THIOXOMETHYL)AMINO)ETHYL)-2-PROPENAMIDE	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	UNII-J8PSF5Z8KJ	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	C21H17N4OSCl3	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	CHEMBL180127	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	SCHEMBL6477826	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	SCHEMBL6477833	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	SCHEMBL17360638	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	CHEBI:91873	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	DTXSID70420852	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	CHEBI:131923	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	HMS3413G22	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	HMS3677G22	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	BCP06507	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	EX-A2153	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	MFCD00548612	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	s2923	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	STL253110	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	AKOS000525027	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	AKOS016042385	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	CCG-269541	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	3-Phenyl-N-[2,2,2-trichloro-1-(3-quinolin-8-yl-thioureido)-ethyl]-acrylamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	NCGC00159554-01	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	NCGC00159554-09	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	AC-33176	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	NS-05839	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	SW102000-2	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	C75050	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	Salubrinal is known as an eIF-2alpha inhibitor.	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	Q7406268	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	BRD-A77299732-001-01-6	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	F0095-1218	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	N-(2,2,2-trichloro-1-(3-quinolin-8-ylthioureido)ethyl)cinnamamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(2E)-3-phenyl-N-{2,2,2-trichloro-1-[(quinolin-8-ylcarbamothioyl)amino]ethyl}acrylamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(E)-3-phenyl-N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]prop-2-enamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	(2E)-3-phenyl-N-{2,2,2-trichloro-1-[(quinolin-8-ylcarbamothioyl)amino]ethyl}prop-2-enamide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	2-PROPENAMIDE, 3-PHENYL-N-(2,2,2-TRICHLORO-1-(((8-QUINOLINYLAMINO)THIOXOMETHYL)AMINO)ETHYL)-, (2E)-	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	2-Propenamide, 3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propen amide	PC_5717801
C21H17Cl3N4OS	479.8	O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	304475-63-6	PC_5717801
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	HG6-64-1	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	1315329-43-1	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	(E)-N-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)vinyl)-4-methylbenzamide	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	HG-6-64-1	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzamide	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	SCHEMBL2284510	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	SCHEMBL2284518	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	CHEBI:94814	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	BCP11080	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	MFCD28167804	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	ZINC72315979	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	CS-3281	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	NCGC00390570-01	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	AS-35169	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	HY-12291	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	HMSL 10017-101-1	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	HG-6-64-1;HG 6-64-1	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	A937058	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	BRD-K98762074-001-01-2	PC_53302361
C32H34F3N5O2	577.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F	UMBFDGUGXMOMHX-BQYQJAHWSA-N	HG-6-64-01;HG-6-64-1;HG 6-64-1	PC_53302361
C14H15FN4O	274.29	Nc1nccc(-c2cc(F)cc(N3CCOCC3)c2)n1	C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)N)F	RHOBEAICQPDGQW-UHFFFAOYSA-N	JNK-9L	PC_146156476
C14H15FN4O	274.29	Nc1nccc(-c2cc(F)cc(N3CCOCC3)c2)n1	C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)N)F	RHOBEAICQPDGQW-UHFFFAOYSA-N	ZINC44460355	PC_146156476
C14H15FN4O	274.29	Nc1nccc(-c2cc(F)cc(N3CCOCC3)c2)n1	C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)N)F	RHOBEAICQPDGQW-UHFFFAOYSA-N	DTXSID101026024	PC_146156476
C14H15FN4O	274.29	Nc1nccc(-c2cc(F)cc(N3CCOCC3)c2)n1	C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)N)F	RHOBEAICQPDGQW-UHFFFAOYSA-N	4-[3-Fluoro-5-(morpholin-4-yl)phenyl]pyrimidin-2-amine	PC_146156476
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	shikonin	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	517-89-5	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	(R)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	Isoarnebin 4	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	Tokyo Violet	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	(+)-Shikonin	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	NSC 252844	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	Shikonine	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	CHEBI:81068	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	C.I. 75535	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	Shikonin S	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dihydronaphthalene-1,4-dione	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	SR-05000001466	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	UNII-3IK6592UBW	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	CCRIS 6492	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	HSDB 8100	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	(R)-Shikonin	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	Shikonin,(S)	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	BRN 2058010	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	SCHEMBL33969	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	BSPBio_001270	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	MLS006010149	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	DTXSID30199653	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	HMS1792P11	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	HMS1990P11	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	HMS2089L09	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	HMS3403P11	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	AMY39404	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	HY-N0822	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	ZINC2015152	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	MFCD00075680	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	s8279	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	(+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	AKOS015900416	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	CCG-208272	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	CS-5906	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	NCGC00163489-01	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	NCGC00163489-02	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	NCGC00163489-04	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	NCGC00163489-05	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	AC-26871	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	AS-13554	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	BP-30212	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	SMR002530673	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	C15906	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	517S895	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	J-502235	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	SR-05000001466-1	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	SR-05000001466-3	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N	Q27155024	PC_479503
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	shikonin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	54952-43-1	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	SHIKALKIN	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	C.I. Natural Red 20	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(+-)-Shikonin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	ARNEBIN-4	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(Rac)-Shikonin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(+)-Shikonin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	Shikonine	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	C.I. 75530	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	C.I. 75535;Isoarnebin 4	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC94524	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC252844	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC407295	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	23444-65-7	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(+/-)-Shikonin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	5,8-Dihydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)- (9CI)	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(+-)-Alkannin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	C.I. 75535	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(+/-)-Alkannin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	C.I. Natural Red 20 (VAN)	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	Gromwell	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC-94524	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	natural red 20	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	Shikonin (7b)	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(+-)-Shikalkin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC 291845	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	ALKANNIN, 1-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	KBioGR_000610	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	KBioSS_000610	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	CHEMBL29285	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	SCHEMBL3182028	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	Shikonin, >=98% (HPLC)	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	SCHEMBL14305203	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	KBio2_000610	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	KBio2_003178	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	KBio2_005746	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	KBio3_001079	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	KBio3_001080	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NEZONWMXZKDMKF-UHFFFAOYSA-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	DTXSID00862100	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	CHEBI:174748	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	BDBM178090	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	Bio2_000475	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	Bio2_000955	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	HMS1362P11	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	BCP29329	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	BCP34282	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	HY-N6004	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC291845	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	5,8-dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)naphthalene-1,4-dione	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	AKOS016034343	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	( inverted exclamation markA)-Shikonin	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC-291845	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NSC-407295	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	IDI1_002230	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	QTL1_000075	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	SMP2_000188	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	LS-14485	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	NCI60_002031	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	DB-082640	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	CS-0032051	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	FT-0651798	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	FT-0746742	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	FT-0774471	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	H1780	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	(-)-Shikonin;C.I. 75535; Isoarnebin 4	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	3-(2,2-Dimethylpropionylamino)isonicotinicacid	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	952S431	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	Q-100621	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYLPENT-3-EN-1-YL)NAPHTHALENE-1,4-DIONE	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	11019-15-1	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N	85921-41-1	PC_5208
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Alkannin	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	517-88-4	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Anchusin	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Alkanna Red	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Anchusa acid	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Alkannin (VAN)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Anchusin (VAN)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	shikonin	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Alkanna red (VAN)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Anchusa acid (VAN)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	23444-65-7	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(S)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)-1,4-naphthoquinone	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	CHEBI:2578	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	CHEMBL4127840	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	075CRZ9995	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(S)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	C.I. Natural Red 20 (VAN)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Cerven prirodni 20	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Cerven prirodni 20 [Czech]	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Anchusaic acid	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	NSC-94524	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	UNII-075CRZ9995	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Arnebin IV	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	EINECS 208-245-7	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(-)-Alkannin	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	NSC 94524	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	NSC 407295	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	C.I. 75530 (VAN)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	BRN 3213296	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	ALKANNIN(RG)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	ALKANNIN [MI]	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(-)-(1-Hydroxy-3-isohexenyl)naphthazarine	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	SCHEMBL33968	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Alkannin, analytical standard	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	3-08-00-04089 (Beilstein Handbook Reference)	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	CHEMBL28457	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	DTXSID201029621	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	ZINC2015151	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	BDBM50271717	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	MFCD00189414	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(-)-5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(-)-5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(-)-5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, (S)-	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	AKOS025401887	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	1,4-Naphthalenedione, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	1,4-Naphthalenedione, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-6-(1-HYDROXY-4-METHYL-3-PENTENYL)-, (-)-	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	AC-26870	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	E103	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	HY-119874	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	CS-0078216	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	517A884	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	Q418237	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	(S)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	5,8-Dihydroxy-6-[(S)-1-hydroxy-4-methyl-3-pentenyl]-1,4-naphthalenedione	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	5,8-DIHYDROXY-2-((1S)-1-HYDROXY-4-METHYLPENT-3-EN-1-YL)NAPHTHALENE-1,4-DIONE	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione	PC_72521
C16H16O5	288.29	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-JTQLQIEISA-N	5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dihydronaphthalene-1,4-dione	PC_72521
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	DMOG	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	89464-63-1	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	dimethyloxalylglycine	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	DIMETHYLOXALOYLGLYCINE	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	Dimethyloxallyl glycine	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	dimethyloxaloylglycine (dmog)	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	methyl 2-((2-methoxy-2-oxoethyl)amino)-2-oxoacetate	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	Dimethyloxaloylglycine(DMOG)	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	N-(2-Methoxy-2-oxoacetyl)glycine methyl ester	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	N-(methoxyoxoacetyl)-glycine, methyl ester	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	Glycine, N-(methoxyoxoacetyl)-, methyl ester	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	METHYL 2-(2-METHOXY-2-OXOETHYLAMINO)-2-OXOACETATE	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	methyl n-[methoxy(oxo)acetyl]glycinate	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	dimethyl oxalylglycine	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	dimethyl oxaloylglycine	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	methyl 2-(2-methoxy-2-oxoacetamido)acetate	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	CHEMBL92309	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	N-oxalylglycine dimethyl ester	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	SCHEMBL3700532	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	DTXSID80339961	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	CHEBI:102218	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	HMS3402K19	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	BCP09050	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	DMOG, >=98% (HPLC)	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	ZINC2563862	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	MFCD05865098	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	s7483	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	AKOS006227635	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	AB22926	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	CCG-208674	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	NCGC00163397-01	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	NCGC00163397-02	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	NCGC00163397-03	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	AC-32922	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	AS-40798	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	HY-15893	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	methyl N-(2-methoxy-2-oxoacetyl)glycinate	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	D5480	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	FT-0650635	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	A13998	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	EN300-141546	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	methyl [(2-methoxy-2-oxoethyl)carbamoyl]formate	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	methyl[(2-methoxy-2-oxoethyl)amino](oxo)acetate	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	N-(METHOXYOXOACETYL)-GLYCINE METHYL ESTER	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	N-Methoxycarbonylmethyl-oxalamic acid methyl ester	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	Glycine, N-(methoxyoxoacetyl)-, methyl ester (9CI)	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	Oxamic acid, (carboxymethyl)-, dimethyl ester (7CI)	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	Q27178902	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	glycine, N-(2-methoxy-1,2-dioxoethyl)-, methyl ester	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	Z275980698	PC_560326
C6H9NO5	175.14	COC(=O)CNC(=O)C(=O)OC	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	2-(methoxycarbonylmethylamino)-2-oxo-acetic acid methyl ester	PC_560326
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	FTI-277	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	170006-73-2	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	CID 3005532	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	CHEMBL135561	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	SCHEMBL8365606	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	EX-A2211A	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	ZINC3821325	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	BDBM50138764	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	CS-3864	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	NCGC00165961-01	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	NCGC00165961-04	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	HY-15872	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	J-010593	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	(S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-biphenyl-2-carbonyl]-amino}-4-methylsulfanyl-butyric acid methyl ester	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	(S)-Methyl 2-(5-(((R)-2-amino-3-mercaptopropyl)amino)-[1,1'-biphenyl]-2-ylcarboxamido)-4-(methylthio)butanoate	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	(S)-Methyl2-(5-(((R)-2-amino-3-mercaptopropyl)amino)-[1,1'-biphenyl]-2-ylcarboxamido)-4-(methylthio)butanoate	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	L-Methionine, N-((5-((2-amino-3-mercaptopropyl)amino)(1,1'-biphenyl)-2-yl)carbonyl)-, methyl ester, (R)-	PC_3005532
C22H29N3O3S2	447.6	COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1	COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	methyl (5-(((R)-2-amino-3-mercaptopropyl)amino)-[1,1'-biphenyl]-2-carbonyl)-L-methioninate	PC_3005532
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akt inhibitor VIII	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	612847-09-3	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akti-1/2	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	YX4CPQ6V6X	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akt-I 1,2	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1,3-Dihydro-1-(1-((4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl)methyl)-4-piperidinyl)-2H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1-(1-(4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl)-piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	3-[1-[[4-(7-phenyl-3H-imidazo[4,5-g]quinoxalin-6-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1,3-Dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]-2H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akt Inhibitor VIII, Isozyme-Selective, Akti-1/2	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1,3-dihydro-1-(1-((4-(6-phenyl-1H-imidazo(4,5-g)quinoxalin-7-yl)phenyl)methyl)-4-piperidinyl)-2H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1-(1-((4-(7-Phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)phenyl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1-{1-[(4-{6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl}phenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akti-1-2 compound	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akt-I-1,2 compound	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akt-I-1/2	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	isozyme-selective, Akti-1/2	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	imidazoquinoxaline 16h	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	UNII-YX4CPQ6V6X	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	AKT-INHIBITOR-1-2	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	MLS003509084	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	MLS006010829	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	CHEMBL258844	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	GTPL5921	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	SCHEMBL1078972	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	CHEMBL4780754	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	BDBM15169	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	CHEBI:91346	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	DTXSID50436572	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	EX-A672	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	cid_10196499	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	HMS3229A11	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	HMS3265G03	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	HMS3265G04	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	HMS3265H03	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	HMS3265H04	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	BCP13210	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	ZINC4846183	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	MFCD09026909	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	s7776	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	AKOS016008792	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	AKOS027470284	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	CCG-206733	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	NCGC00165727-01	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	NCGC00165727-02	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	NCGC00165727-10	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	AS-56039	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	HY-10355	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	SMR002157258	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	SMR004701756	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	FT-0661446	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	VU0450226-1	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	A-6730	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akt Inhibitor VIII trifluoroacetate salt hydrate	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	A856243	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Q27074367	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	Akt Inhibitor VIII, Isozyme-Selective, Akti-1/2 - CAS 612847-09-3	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1,3-Dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]guinoxalin-7-yl)phenyl]methyl]4-piperidinyl]-2H-benzimidazol-2-on	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1,3-Dihydro-1-[1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenylmethyl]-4-piperidinyl]-2H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1-(1-(phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl}phenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	1-{1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-1-(1-((4-(6-PHENYL-1H-IMIDAZO(4,5-G)QUINOXALIN-7-YL)PHENYL)METHYL)-4-PIPERIDINYL)-	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	3-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	3-[1-[4-(7-phenyl-3H-imidazo[4,5-g]quinoxalin-6-yl)benzyl]-4-piperidyl]-1H-benzimidazol-2-one	PC_135398501
C34H29N7O	551.6	O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8	IWCQHVUQEFDRIW-UHFFFAOYSA-N	IQO	PC_135398501
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	56990-57-9	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NSC-87877	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NSC 87877	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NSC87877	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-HYDROXY-7-[(6-SULFO-2-NAPHTHYL)AZO]-5-QUINOLINESULFONIC ACID	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	CHEMBL472004	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	5-Quinolinesulfonicacid, 8-hydroxy-7-[2-(6-sulfo-2-naphthalenyl)diazenyl]-	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	(E)-8-hydroxy-7-((6-sulfonaphthalen-2-yl)diazenyl)quinoline-5-sulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCGC00013917	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCIStruc1_001562	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCIStruc2_001738	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	MLS006010814	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	CHEMBL1208151	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	CHEMBL1404918	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	SCHEMBL13738901	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	SCHEMBL14154415	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	SCHEMBL22494078	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	CHEBI:95064	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	DTXSID90866596	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	BDBM152210	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	HMS3742K15	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCI87877	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	ZINC3954176	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	BDBM50087879	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	CCG-37311	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	ZINC12405220	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	ZINC33838224	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	AKOS024457197	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	ZINC100132978	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	ZINC100428951	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	ZINC257350971	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCGC00013917-02	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCGC00013917-08	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCGC00013917-09	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCGC00097026-01	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCGC00346803-01	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	AS-16570	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	HY-18756	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	NCI60_041943	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	SMR004701746	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	CS-0014260	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	A899784	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	Q27166834	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-hydroxy-7-((6-sulfo-2-naphthyl)diazenyl)-5-quinolinesulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-hydroxy-7-((6-sulfonaphthalen-2-yl) diazenyl)quinoline-5-sulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-hydroxy-7-[(E)-(6-sulfo-2-naphthyl)azo]quinoline-5-sulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid	PC_92577
C19H13N3O7S2	459.5	O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N	8-Oxo-7-[2-(6-sulfonaphthalen-2-yl)hydrazinylidene]-7,8-dihydroquinoline-5-sulfonic acid	PC_92577
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	bleomycin a2	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	bleomycin	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Bleomycins	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	11116-31-7	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Bleocin	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Blenamax	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Bleomycin Hexal	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	CHEBI:3139	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	NSC-125066	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Bleo	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Bleomycin hydrochloride	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	11056-06-7	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Bleo-kyowa	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	SCHEMBL134155	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	CHEMBL403664	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	DTXSID20872327	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	BLM	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	BDBM50547621	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	AKOS032960358	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	C06854	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	N(1)-[3-(dimethylsulfonio)propyl]bleomycinamide	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UAPAGMARSA-O	Q26841044	PC_5460769
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	bleomycin	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomicin	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	bleomycin a2	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleocin	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycine [INN-French]	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycinum [INN-Latin]	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomicina [INN-Spanish]	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	11056-06-7	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycin sulfate	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomicina	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycine	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycinum	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	BLM	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycin [INN]	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycin sulphate	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	CCRIS 2754	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	HSDB 3208	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	NDC 0015-3010	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	Bleomycin [INN:BAN]	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	NSC 125066	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	UNII-40S1VHN69B	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	40S1VHN69B	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	SCHEMBL21090952	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	LMPK14000006	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O	DB00290	PC_5360373
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	bleomycin	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	bleomycin a2	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	Bleomycin sulfate	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	11056-06-7	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	Isobleomycin A2	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	9041-93-4	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	NCIMech_000876	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	CHEMBL439180	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	NSC146842	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	NSC-146842	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	Bleomycinamide, 3(sup B)-O-de(aminocarbonyl)-N(sup 1)-(3-(dimethylsulfonio)propyl)-, 2(sup B)-carbamate	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-UHFFFAOYSA-O	Q26998364	PC_84068
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-GONMCNJQSA-O	bleomycin a2	PC_102601374
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	bleomycin	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	Bleocin	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	bleomycin a2	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	11056-06-7	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	Zhengguangmycin A2	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	Bleomycin A2 & Bleomycin B2.	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	Pingyangmyvin A2	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-QRQYLRPSSA-O	SCHEMBL2385791	PC_456190
C55H84N17O21S3+	1415.6	Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1	CC1=C(N=C(N=C1N)[C@@H](CC(=O)N)NC[C@H](C(=O)N)N)C(=O)N[C@H]([C@@H](C2=CN=CN2)O[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@@H](C)[C@@H]([C@@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-JGLJZGCBSA-O	bleomycin a2	PC_133562634
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	QS11	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	944328-88-5	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	QS 11	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	QS11 free	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	CHEMBL259181	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	(S)-2-((9-([1,1'-biphenyl]-4-ylmethyl)-2-((2,3-dihydro-1H-inden-5-yl)oxy)-9H-purin-6-yl)amino)-3-phenylpropan-1-ol	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	QS 11 (QS11,BML-WN117)	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]purin-6-yl]amino]-3-phenylpropan-1-ol	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	(2S)-2-[2-(Indan-5-yloxy)-9-(1,1'-biphenyl-4-yl)methyl)-9H-purin-6-ylamino]-3-phenyl-propan-1-ol	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	QS11free	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	Wnt Synergist, QS11	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	(2S)-2-{[9-(4-Biphenylylmethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-9H-purin-6-yl]amino}-3-phenyl-1-propanol	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	MLS006010863	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	SCHEMBL1056416	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	CHEBI:94469	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	DTXSID90655225	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	EX-A2569	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	BDBM50373058	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	ZINC29050027	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	AKOS024457553	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	CCG-208078	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	CS-6989	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	NCGC00263207-01	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	NCGC00263207-03	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	AC-33203	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	AS-77605	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	HY-12762	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	SMR004701791	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	J-501013	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	BRD-K02526760-001-01-5	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	Q27166329	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	(2S)-2-({9-[([1,1'-Biphenyl]-4-yl)methyl]-2-[(2,3-dihydro-1H-inden-5-yl)oxy]-9H-purin-6-yl}amino)-3-phenylpropan-1-ol	PC_42623900
C36H33N5O2	567.7	OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1	C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO	DOKZLKDGUQWMSX-HKBQPEDESA-N	(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol	PC_42623900
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	lfm-a13	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	244240-24-2	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	CHEMBL228043	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	62004-35-7	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	SMR001230714	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	alpha-Cyano-beta-hydroxy-beta-methyl-N-(2,5-dibromophenyl)propenamide	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	SR-01000075965	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	BiomolKI_000050	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	BiomolKI2_000056	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	Lopac0_000650	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	SCHEMBL51142	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	BMK1-F2	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	BSPBio_001239	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	MLS002153290	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	MLS006010694	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	GTPL9262	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	LFM-A13(Z)	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	CHEBI:95065	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	a-Cyano-b-hydroxy-b-methyl-N-(2,5-dibromophenyl)propenamide	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	DTXSID101017390	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HMS1362M21	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HMS1792M21	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HMS1990M21	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HMS2235P16	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HMS3403M21	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HMS3414K07	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HMS3678K07	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	BCP12817	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	BDBM50552060	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	s7734	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	ZINC37868487	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	AKOS024456516	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	CCG-100654	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	CS-3890	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	LP00650	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	SDCCGSBI-0050630.P002	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	IDI1_002205	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00025100-02	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00025100-03	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00025100-04	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00025100-05	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00025100-06	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00025100-07	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00025100-08	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	NCGC00481569-01	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	HY-18009	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	LFM-A13, >=98% (HPLC), powder	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	EU-0100650	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	K00067	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	L 8789	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	A877921	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	SR-01000075965-1	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	SR-01000075965-3	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	Q27080265	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	2-cyano-n-(2,5-dibromophenyl)-3-hydroxy-2-buteneamide	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	(Z)-2-yano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	(2Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	2-Butenamide,2-cyano-N-(2,5-dibromophenyl)-3-hydroxy-, (2Z)-	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	alpha-cyano-beta-hydroxy-beta-methyl-N-(2, 5-dibromophenyl)propenamide	PC_54676905
C11H8Br2N2O2	360.0	CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br	C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O	UVSVTDVJQAJIFG-VURMDHGXSA-N	LFMA13;LFM A13;(Z)-2-Cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide	PC_54676905
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	FH535	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	108409-83-2	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	beta-Catenin/Tcf Inhibitor, FH535	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	N-(2-Methyl-4-nitrophenyl)-2,5-dichlorobenzenesulfonamide	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	FH-535	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	FH 535	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	CHEMBL2363137	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	2,5-dichloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	N-[2-methyl-4-nitrophenyl]-2,5-dichlorobenzenesulfonamide	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	C13H10Cl2N2O4S	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	CBMicro_011295	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	SCHEMBL15318105	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	DTXSID60392716	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	EX-A388	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	CHEBI:125569	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	HMS3653N07	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	BCP09634	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	SMSF0005619	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	ZINC4662683	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	BDBM50509999	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	MFCD01212888	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	NSC778746	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	s7484	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	STK079761	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	beta -Catenin/Tcf Inhibitor, FH535	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	AKOS003980135	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	CB14399	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	CCG-208119	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	CS-1538	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	NSC-778746	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	SB19433	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	AC-31439	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	AS-60177	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	DA-33629	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	FH535, >=98% (HPLC)	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	HY-15721	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	BIM-0011242.P001	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	FT-0672020	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	SW219729-1	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	J3.583.203C	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	J-002138	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	BRD-K48112880-001-01-5	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	Q27216183	PC_3463933
C13H10Cl2N2O4S	361.2	Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzene-1-sulfonamide	PC_3463933
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	IPA-3	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	42521-82-4	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	IPA 3	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	Bis(2-hydroxy-1-naphthyl) disulfide	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1,1'-Dithiodi-2-naphthol	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1,1'-disulfanediylbis(naphthalen-2-ol)	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	IPA3	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	2-Naphthol, 1,1'-dithiodi-	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	2-Naphthalenol, 1,1'-dithiobis-	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	3XFG6MQ9G2	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	CHEMBL472940	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	UNII-3XFG6MQ9G2	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1,1'-Dithiodi-2-naphthtol	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1,1'-disulfanediyldinaphthalen-2-ol	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	dihydroxydinaphthyldisulphide	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	MLS006011676	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	F0400-0044	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	GTPL8940	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	SCHEMBL4907161	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	CHEBI:95062	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	DTXSID70195311	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	CHEBI:101355	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	HMS3229J05	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	HMS3263P06	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	HMS3414C17	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	HMS3653G03	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	HMS3678C17	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	ZINC1957909	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	Tox21_501272	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	BDBM50112354	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	MFCD00388917	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	s7093	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	AKOS001589606	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	CCG-222576	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	CS-1432	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	LP01272	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	SDCCGSBI-0207173.P002	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1,1'-disulfanediyldi(naphthalen-2-ol)	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	IPA-3, >=95% (HPLC), powder	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	NCGC00186047-01	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	NCGC00186047-02	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	NCGC00186047-12	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	NCGC00261957-01	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	AS-82043	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	HY-15663	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	SMR001456562	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	SW220299-1	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	D83674	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1-[(2-hydroxy-1-naphthyl)disulfanyl]-2-naphthol	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	A918483	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1-(2-hydroxynaphthalen-1-yl)disulfanylnaphthalen-2-ol	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	Q27078087	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	Z57109489	PC_521106
C20H14O2S2	350.5	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	1081767-20-5	PC_521106
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	732983-37-8	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BAY 61-3606	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BAY-61-3606 free base	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	Syk inhibitor IV	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BAY61-3606	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	61G8S0H9KX	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	CHEMBL1190711	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BAY-613606	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	3-Pyridinecarboxamide, 2-((7-(3,4-dimethoxyphenyl)imidazo(1,2-C)pyrimidin-5-yl)amino)-	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	2-[[7-(3,4-Dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-3-pyridinecarboxamide	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	CHEMBL1242100	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	Kinome_3125	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	UNII-61G8S0H9KX	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	SCHEMBL373774	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BAY 61-3606 free base	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	GTPL9693	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	CHEBI:91426	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	DTXSID101017352	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	HMS3295M09	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BCP08946	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	EX-A1437	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	sc-202351	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	ZINC3817793	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BDBM50325991	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	NSC766992	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	AT32059	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BAY-61-360	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	CCG-102604	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	CS-0235	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	NSC-766992	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	NCGC00346945-01	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	NCGC00346945-06	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	AC-29888	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	HY-76474	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	J-507625	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	BRD-K53281329-001-01-9	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	Q27163275	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	2-((7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl)amino)nicotinamide	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	2-(7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-ylamino)nicotinamide hydrochloride	PC_10200390
C20H18N6O3	390.4	COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N	2-[[7-(3,4-Dimethoxyphenyl)imidazo[1,2-c]pyrimidine-5-yl]amino]-3-pyridinecarboxamide	PC_10200390
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	thapsigargin	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	67526-95-8	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Z96BQ26RZD	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	CHEMBL96926	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	CHEBI:9516	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OXY]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	(-)-Thapsigargin	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	TG1	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	SR-01000076181	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	MFCD00083511	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	UNII-Z96BQ26RZD	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Octanoic Acid [3s-[3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha(Z), 9balpha]]-6-(Acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-Decahydro-3,3a-Dihydroxy-3,6,9-Trimethyl-8-[(2-Methyl-1-Oxo-2-Butenyl)oxy]-2-Oxo-4-(1-Oxobutoxy)-Azuleno[4,5-B]furan-7-Yl Ester	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Octanoic Acid [3s-[3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha(Z), 9balpha]]-6-(Acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-Decahydro-3,3a-Dihydroxy-3,6,9-Trimethyl-8-[(2-Methyl-1-Oxo-2-Butenyl)oxy]-2-Oxo-4-(1-Oxobutoxy)-Azuleno[4,5-B]furan-7-Yl Ester	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Azuleno[4,5-b]furan, octanoic acid deriv.	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	THAPSIGARGIN [MI]	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	n-7-yl ester (9CI)	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Lopac0_001262	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	SCHEMBL82423	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	BSPBio_001501	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	MLS006010944	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	GTPL5351	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	CHEBI:93212	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	HMS1361L03	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	HMS1791L03	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	HMS1989L03	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	HMS3263N06	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	HMS3402L03	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	ZINC8195655	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Tox21_501262	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	BDBM50035612	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	s7895	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	AKOS024456410	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	CCG-205336	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	LMPR0103410001	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	LP01262	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	SDCCGSBI-0051229.P002	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	IDI1_033971	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	NCGC00016060-08	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	NCGC00162381-05	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	NCGC00162381-06	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	NCGC00261947-01	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	AC-32567	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	AS-56389	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	HY-13433	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-((2-methyl-1-oxo-2-butenyl)oxy)-2-oxo-4-(1-oxobutoxy)azuleno(4,5-b)furan-7-yl ester, (3S-(3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha))-	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	SMR001456557	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Thapsigargin, >=98% (HPLC), solid film	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	CS-0006886	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	EU-0101262	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	C09561	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	T 9033	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]]-	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Q3981006	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	SR-01000076181-1	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	SR-01000076181-5	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	BRD-K69023402-001-02-5	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z),	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]f uran-7-yl ester	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	(3S,3aR,4S,6S,6AR,7S,8S,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl octanoate	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	123269-03-4	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	octanoic acid {3S-[3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]}-6-(acetoxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	OCTANOIC ACID, (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-2-OXO-4-(1-OXOBUTOXY)AZULENO(4,5-B)FURAN-7-YL ESTER	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(-oxobutoxy)azuleno[4,5-b]furan	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]fura	PC_446378
C34H50O12	650.8	CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	IXFPJGBNCFXKPI-FSIHEZPISA-N	Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester, [3S-[3alpha,3abeta,4	PC_446378
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	345987-15-7	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	AS601245	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	AS-601245	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	1,3-benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	2-(benzo[d]thiazol-2-yl)-2-(2-((2-(pyridin-3-yl)ethyl)amino)pyrimidin-4-yl)acetonitrile	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	Y9A2N9O85G	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	UNII-Y9A2N9O85G	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	(2s)-1,3-Benzothiazol-2-Yl{2-[(2-Pyridin-3-Ylethyl)amino]pyrimidin-4-Yl}ethanenitrile	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	AS 601245	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	SCHEMBL186278	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	CHEMBL406703	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	CHEBI:91345	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	EX-A634	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	DTXSID401026023	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	HMS3265G01	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	HMS3265G02	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	HMS3265H01	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	HMS3265H02	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	HMS3265O01	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	BCP32871	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	VNA98715	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	BDBM50169959	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	MFCD07772196	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	AKOS026750437	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	CS-4974	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	NCGC00346953-01	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	BS-16634	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	HY-11010	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	DB-014696	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	FT-0761897	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	A912253	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	AS-601245; AS 601245	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	BRD-A60245366-001-01-1	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	Q27163222	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	2-Benzothiazoleacetonitrile, alpha-(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)-	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	(Z)-2-(Benzo[d]thiazol-2(3H)-ylidene)-2-(2-((2-(pyridin-3-yl)ethyl)amino)pyrimidin-4-yl)acetonitrile	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	[3H-Benzothiazol-(2Z)-ylidene]-[2-(2-pyridin-3-yl-ethylamino)-pyrimidin-4-yl]-acetonitrile	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin-3-yl)ethylamino)pyrimidin-4-yl)acetonitrile	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	2-BENZOTHIAZOLEACETONITRILE, .ALPHA.-(2-((2-(3-PYRIDINYL)ETHYL)AMINO)-4-PYRIMIDINYL)-	PC_10109823
C20H16N6S	372.4	N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4	RCYPVQCPYKNSTG-UHFFFAOYSA-N	JN5	PC_10109823
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Avagacestat	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	1146699-66-2	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BMS-708163	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BMS 708163	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BMS-708163 (Avagacestat)	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BMS-708163-01	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Avagacestat (BMS-708163)	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Avagacestat [USAN]	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BMS708163	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	TQ44WWY45Q	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BMS-70816301	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Avagacestat (USAN)	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-[N-[(4-CHLOROPHENYL)SULFONYL]-N-[2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)BENZYL]AMINO]-5,5,5-TRIFLUOROPENTANAMIDE	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-(N-((4-Chlorophenyl)sulfonyl)-N-((2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl)methyl)amino)-5,5,5-trifluoropentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-[(4-Chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-pentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-[[(4-Chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Avagacestat [USAN:INN]	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	UNII-TQ44WWY45Q	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	PENTANAMIDE, 2-(((4-CHLOROPHENYL)SULFONYL)((2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)PHENYL)METHYL)AMINO)-5,5,5-TRIFLUORO-, (2R)-	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Pentanamide, 2-[[(4-chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-, (2R)-	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	AVAGACESTAT [INN]	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	AVAGACESTAT [WHO-DD]	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	MLS006011074	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	SCHEMBL310019	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Avagacestat; BMS-708163	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	GTPL6489	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	CHEMBL1090771	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Avagacestat, >=98% (HPLC)	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	DTXSID40150811	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	CHEBI:177493	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BCPP000327	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	HMS3884O07	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-[[(4-Chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-pentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BCP01770	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	EX-A2871	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BBL102113	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BDBM50458169	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	MFCD13195458	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	NSC761217	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	s1262	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	STL555912	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	ZINC43202993	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	AKOS005146523	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	AKOS016016280	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BCP9000429	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	CCG-269860	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	CS-0180	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	DB11893	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	NSC-761217	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	MRF-0000009	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	NCGC00346504-01	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	AS-75078	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	HY-50845	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	SMR004676648	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BCP0726000124	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	DB-024955	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	SW218162-2	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	C71464	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	D09869	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	699B662	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	A894166	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	Q27074630	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(2R)-2-[(4-chlorophenyl)sulonyl-[[2-luoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-triluoropentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	(R)-2-((4-Chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)phenyl)sulfonamido)-5,5,5-trifluoropentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	BMS-708163;(R)-2-(4-chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)phenylsulfonamido)-5,5,5-trifluoropentanamide	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	EN9	PC_46883536
C20H17ClF4N4O4S	520.9	NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	N~2~-[(4-chlorophenyl)sulfonyl]-5,5,5-trifluoro-N~2~-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]-D-norvalinamide	PC_46883536
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	CCT007093	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	176957-55-4	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	(2E,5E)-2,5-bis(thiophen-2-ylmethylene)cyclopentanone	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	2,5-Bis(2-thienylmethylene)-cyclopentanone	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	(2E,5E)-2,5-Bis(2-thienylmethylene)-cyclopentanone	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	CCT 007093	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	MFCD00121546	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	PPM1D Phosphatase Inhibitor	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	CHEMBL255342	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	SCHEMBL23345445	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	HMS1434P09	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	EX-A1312	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	ZINC4693425	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	CCG-44406	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	s7485	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	AKOS001056544	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	IDI1_012782	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	AC-35911	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	AS-69004	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	HY-15880	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	2,5-Bis(2-thienylmethylene)cyclopentanone	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	CCT 007093;CCT-007093	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	A14289	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	CCT007093, >=98% (HPLC), powder, yellow	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	SR-01000634242-1	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	(2E,5E)-2,5-bis(thien-2-ylmethylene)cyclopentanone	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	([2e,5e]-2,5-bis[2-thienylmethylene]-cyclopentanone)	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	Cyclopentanone, 2,5-bis(2-thienylMethylene)-, (E,E)-	PC_2314623
C15H12OS2	272.4	O=C1C(=Cc2cccs2)CCC1=Cc1cccs1	C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KPFZCKDPBMGECB-WGDLNXRISA-N	(2E,5E)-2,5-bis[(thiophen-2-yl)methylidene]cyclopentan-1-one	PC_2314623
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EHT 1864	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	754240-09-0	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EHT1864	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EHT-1864	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EHT-1864 HCl	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EHT 1864 2HCl	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	2-(Morpholinomethyl)-5-((5-((7-(trifluoromethyl)quinolin-4-yl)thio)pentyl)oxy)-4H-pyran-4-one dihydrochloride	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	5-(5-(7-(Trifluoromethyl)quinolin-4-ylthio)pentyloxy)-2-(morpholinomethyl)-4H-pyran-4-one dihydrochloride	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one;dihydrochloride	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	754240-09-0 (HCl)	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	MFCD11114384	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	SCHEMBL384979	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	CHEMBL3216441	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EX-A513	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	BCP09829	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	s7482	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	AKOS024457839	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	AM85901	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	CCG-270134	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	CS-3154	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	4H-Pyran-4-one,2-(4-morpholinylmethyl)-5-[[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentyl]oxy]-,hydrochloride(1:2)	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	AC-36051	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	BS-17446	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	DA-41426	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	HY-16659	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EHT 1864, >=98% (HPLC)	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	FT-0700491	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	SW220265-1	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	EHT 1864 is known as a Rac inhibitor, part of a subfamily of Rho GTPases.	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	2-(morpholinomethyl)-5-((5-((7-(trifluoromethyl)quinolin-4-yl)thio)pentyl)oxy)-4H-pyran-4-one 2HCl	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	2-[(morpholin-4-yl)methyl]-5-[(5-{[7-(trifluoromethyl)quinolin-4-yl]sulfanyl}pentyl)oxy]-4H-pyran-4-one dihydrochloride	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	4H-Pyran-4-one, 2-(4-morpholinylmethyl)-5-((5-((7-(trifluoromethyl)-4-quinolinyl)thio)pentyl)oxy)-, dihydrochloride	PC_9938202
C25H29Cl2F3N2O4S	581.5	Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12	C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl	LSECOAJFCKFQJG-UHFFFAOYSA-N	5(5(7(trifluoromethyl)quinolin-4-ylthio)pentyloxy)-2-(morpholinomethyl)-4h-pyran-4-one dihydrochloride	PC_9938202
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CCT018159	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	171009-07-7	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CCT-018159	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CHEBI:41656	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	55H1ZOI1NL	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethylbenzene-1,3-diol	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CHEMBL399530	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1h-pyrazol-3-yl]-6-ethyl-1,3-benzenediol	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	1,3-Benzenediol, 4-(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethyl-	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethylbenzene-1,3-diol	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CT5	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	UNII-55H1ZOI1NL	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	2brc	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	Kinome_3591	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	Oprea1_650000	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	SCHEMBL1082064	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	SCHEMBL21067776	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	BDBM15362	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CHEBI:93148	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	DTXSID501122866	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	HMS3269C15	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	HMS3677M10	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	HSP90 Inhibitor, CCT018159	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	WGA00907	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	ZINC8536348	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	BDBM50453881	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	STK966511	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	AKOS002164043	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CCG-294095	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	DB07594	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	NCGC00161410-01	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	NCGC00161410-02	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	VER-00063579	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	HY-110042	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	CS-0032865	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	EC-000.2389	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	A935573	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	SR-01000398552	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	J-010680	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	SR-01000398552-1	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	BRD-K65503129-001-01-4	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	BRD-K65503129-001-02-2	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	BRD-K65503129-001-05-5	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	Q27096815	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	Q27164868	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrazol-5-yl]-6-ethylbenzene-1,3-diol	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-benzene-1,3-diol	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-1-cyclohexa-2,4-dienone	PC_984170
C20H20N2O4	352.4	CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O	CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C	OWPMENVYXDJDOW-UHFFFAOYSA-N	868989-73-5	PC_984170
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	459868-92-9	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG-014699	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	PF-01367338	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG014699	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG 014699	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib (phosphate)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG-14699	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib (AG-014699,PF-01367338)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG-014447	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib phosphate [USAN]	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	459868-92-9 (phosphate)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	PF01367338	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	8-Fluoro-2-(4-((methylamino)methyl)phenyl)-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	H3M9955244	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib phosphate (USAN)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib (free base)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	8-fluoro-2-(4-methylaminomethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one Phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	PF 01367338	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	PF01367338 phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	UNII-H3M9955244	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG 014699 phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG-014699 phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	MLS006011099	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	PF-01367338 phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	SCHEMBL844872	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG-014699 - Rucaparib	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib (AG-014699,PF-01367338) phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	CHEMBL2105733	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	PF-01367338, Rucaparib	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG-014447 (as free base)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	EX-A018	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	HMS3426E05	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	HMS3654A21	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AMY40248	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	BCP01731	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib (AG-014699) phosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	MFCD17010269	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	RUCAPARIB PHOSPHATE [WHO-DD]	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	s1098	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AKOS025147025	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	CCG-264819	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	SB16539	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;phosphoric acid	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AS-16892	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	HY-10617	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	SMR004702887	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	RUCAPARIB PHOSPHATE (AG-014699)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	FT-0661440	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	SW219544-1	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	AG-014699,PF-01367338, Rucaparib	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	EC-000.2323	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	D10157	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib (AG-014699;PF-01367338)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	J-690301	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Rucaparib phosphate (AG-14699  PF-01367338)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	Q27279598	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.0^{4,13]trideca-1,4,6,8(13)-tetraen-9-one;phosphoric acid	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	6H-AZEPINO(5,4,3-CD)INDOL-6-ONE, 8-FLUORO-1,3,4,5-TETRAHYDRO-2-(4((METHYLAMINO)METHYL)PHENYL)-, PHOSPHATE (1:1)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	6H-PYRROLO(4,3,2-EF)(2)BENZAZEPIN-6-ONE, 8-FLUORO-1,3,4,5-TETRAHYDRO-2-(4-((METHYLAMINO)METHYL)PHENYL)-, PHOSPHATE (1:1)	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	8-Fluoro-2-(4-((methylamino)methyl)phenyl)-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-onephosphate	PC_9931953
C19H21FN3O5P	421.4	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one phosphate (1:1)	PC_9931953
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	KU-60019	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	925701-49-1	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	925701-46-8	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	ku60019	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	KU 60019	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	IAN358A69K	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	CHEMBL2140173	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	(2R,6S-rel)-2,6-Dimethyl-N-[5-[6-(4-morpholinyl)-4-oxo-4H-pyran-2-yl]-9H-thioxanthen-2-yl-4-morpholineacetamide	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	2-((2R,6S)-2,6-dimethylmorpholino)-N-(5-(6-morpholino-4-oxo-4H-pyran-2-yl)-9H-thioxanthen-2-yl)acetamide	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	4-Morpholineacetamide, 2,6-dimethyl-N-(5-(6-(4-morpholinyl)-4-oxo-4H-pyran-2-yl)-9H-thioxanthen-2-yl)-, (2R,6S)-	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	2-((2S,6R)-2,6-dimethylmorpholino)-N-(5-(6-morpholino-4-oxo-4H-pyran-2-yl)-9H-thioxanthen-2-yl)acetamide.	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	2-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]-N-{5-[6-(morpholin-4-yl)-4-oxo-4H-pyran-2-yl]-9H-thioxanthen-2-yl}acetamide	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	UNII-IAN358A69K	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	CS-0221	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	MLS006011020	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	GTPL8041	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	SCHEMBL3681453	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	DTXSID00580453	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	EX-A658	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	BCP02304	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	BDBM50059640	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	s1570	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	AKOS024458015	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	KU-60019 [MI]	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	ZINC100071759	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	CCG-264914	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	NCGC00229735-01	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	NCGC00229735-02	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	NCGC00229735-03	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	2-((2S,6R)-2,6-dimethylmorpholino)-N-(5-(6-morpholino-4-oxo-4H-pyran-2-yl)-9H-thioxanthen-2-yl)acetamide	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	AC-32798	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	AS-56031	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	HY-12061	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	SMR003771360	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	SW219699-1	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	KU-60019, >=98% (HPLC)	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	N11342	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	J-521621	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	Q27894826	PC_15953870
C30H33N3O5S	547.7	CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1	C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6	SCELLOWTHJGVIC-BGYRXZFFSA-N	894104-72-4	PC_15953870
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	1080622-86-1	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	CP-466722	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	CP466722	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	CP 466722	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	1-(6,7-dimethoxyquinazolin-4-yl)-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	CHEMBL2143829	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	HMS3265A20	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	GTPL9359	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	SCHEMBL15639218	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	CHEBI:91330	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	DTXSID80659313	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	EX-A086	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	HMS3265A19	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	HMS3265B19	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	HMS3265B20	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	BCP02229	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	BDBM50145038	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	MFCD17392566	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	s2245	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	ZINC70466460	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	1-(6,7-Dimethoxy-4-quinazolinyl)-3-(2-pyridinyl)-1H-1,2,4-triazol-5-amine	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	AKOS027422720	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	BCP9000544	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	SB19278	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	2-(6,7-dimethoxyquinazolin-4-yl)-5-(pyridin-2-yl)-2H-1,2,4-triazol-3-amine	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	NCGC00263099-01	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	NCGC00263099-02	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	NCGC00263099-05	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	NCGC00263099-08	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	AC-28457	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	AS-78299	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	HY-11002	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	A25042	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	CP466722, >=98% (HPLC)	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	J-503445	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	BRD-K15592317-001-01-0	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	Q27163212	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	2-(6,7-dimethoxy-4-quinazolinyl)-5-(2-pyridinyl)-1,2,4-triazol-3-amine	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	2-(6,7-Dimethoxy-quinazolin-4-yl)-5-pyridin-2-yl-2H-[1,2,4]triazol-3-ylamine	PC_44551660
C17H15N7O2	349.3	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC	ILBRKJBKDGCSCB-UHFFFAOYSA-N	2-(6,7-dimethoxyquinazolin-4-yl)-5-(pyridin-2-yl)-2H-1,2,4-triazol-3-amine;CP-466722	PC_44551660
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	AS-605240	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	648450-29-7	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	AS605240	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	AS 605240	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	PI 3-Kg inhibitor	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	(Z)-5-(Quinoxalin-6-ylmethylene)thiazolidine-2,4-dione	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	CHEMBL568150	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	5-(6-QUINOXALINYLMETHYLENE)-2,4-THIAZOLIDINEDIONE	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	1287651-14-2	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	5-(6-Quinoxalinylmethylene)-2,4-thiazolidine-2,4-dione	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	2a5u	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	5-quinoxalin-6-ylmethylenethiazolidine-2,4-dione	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	QYT	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	SCHEMBL668616	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	GTPL6023	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	CHEBI:45302	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	DTXSID401018492	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	HMS3229I19	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	HMS3262N16	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	HMS3650I15	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	BCP02097	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	Tox21_500947	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	AS 605240,5-(6-Quinoxalinylmethylene)-2,4-thiazolidine-2,4-dione	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	BDBM50324735	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	MFCD11114066	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	s1410	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	ZINC12504504	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	AKOS024457698	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	BCP9000323	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	CCG-101300	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	CS-0084	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	DB04769	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	LP00947	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	SDCCGSBI-0086699.P002	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	NCGC00186030-01	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	NCGC00186030-13	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	NCGC00261632-01	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	AS-16768	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	HY-10109	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	AS605240, >=98% (HPLC)	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	SR-02000000919	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	J-516278	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	SR-02000000919-2	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	BRD-K76773351-001-01-9	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	Q27088381	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	(5Z)-5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	5-[(quinoxalin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione	PC_5289247
C12H7N3O2S	257.27	O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1	C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3	SQWZFLMPDUSYGV-POHAHGRESA-N	(5Z)-5-[(quinoxalin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione	PC_5289247
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Enzastaurin	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	170364-57-5	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	LY317615	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Enzastaurin (LY317615)	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	LY-317615	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DB102	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	UC96G28EQF	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	LY 317615	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	CHEMBL300138	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DB-102	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DSSTox_CID_24029	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DSSTox_RID_80101	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DSSTox_GSID_44029	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)-piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Enzastaurin [INN]	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	CAS-170364-57-5	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	UNII-UC96G28EQF	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-Methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]-1H-pyrrole-2,5-dione	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	LE-0014	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	ENZASTAURIN [MI]	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Enzastaurin [USAN:INN]	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Enzastaurin,LY317615	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	ENZASTAURIN [USAN]	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Enzastaurin; LY317615	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	ENZASTAURIN [WHO-DD]	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	LY317615 - Enzastaurin	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	SCHEMBL678748	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	GTPL5693	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DTXSID5044029	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	CHEBI:91368	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	AMY7827	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	BCPP000241	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	HMS3265M05	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	HMS3265M06	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	HMS3265N05	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	HMS3265N06	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	HMS3654A13	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	HMS3748E03	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	BCP02703	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	EX-A1055	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	WHO 8426	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	ZINC1494900	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Tox21_113367	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	BDBM50128285	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	MFCD11040980	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NSC767124	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NSC800096	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	s1055	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	AKOS015994764	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Tox21_113367_1	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	AC-5900	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	BCP9000648	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	CCG-264797	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	CS-0132	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DB06486	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NSC-767124	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NSC-800096	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	SB16481	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NCGC00238452-01	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NCGC00238452-02	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NCGC00238452-03	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	NCGC00238452-11	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	HY-10342	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	DB-064781	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	FT-0667873	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	SW219797-1	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	EC-000.2315	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	364E575	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	J-510442	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	Q5381479	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	BRD-K79404599-001-01-0	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione	PC_176167
C32H29N5O2	515.6	Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	AXRCEOKUDYDWLF-UHFFFAOYSA-N	3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione	PC_176167
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	821794-92-7	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	FMK	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	CHEMBL515414	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	1-(4-amino-7-(3-hydroxypropyl)-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanone	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanone	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	RSK2 kinase inhibitor	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	FMK (covalent)	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	RSK inhibitor Fmk	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	FMK;RSK2 kinase inhibitor	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	GTPL9358	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	SCHEMBL12200837	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	DTXSID40349344	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	EX-A846	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	HMS3741I07	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	BCP10804	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	ZINC6718642	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	BDBM50248765	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	HY-52101A	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	MFCD22417081	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	AKOS027325130	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	CS-0648	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	NCGC00386649-02	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	AC-33711	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	AS-83263	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	DS-016104	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	fluoromethylketone-pyrrolopyrimidine scaffold	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	FT-0700368	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	A864446	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	J-690355	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	1-[4-Amino-5-(4-methylphenyl)-7-(3-hydroxypropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-yl]-2-fluoroethanone	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethan-1-one	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	ethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro-	PC_644243
C18H19FN4O2	342.4	Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1	CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCO)C(=O)CF	IKLGYJACVCXYIL-UHFFFAOYSA-N	Ethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro- (9CI)	PC_644243
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	BPTES	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	314045-39-1	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	Bis-2-(5-phenylacetamido-1,3,4-thiadiazol-2-yl)ethyl sulfide	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	3uo9	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide)	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	N,N'-((thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(2-phenylacetamide)	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	CHEMBL2177757	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	2,2'-(5,5'-(2,2'-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone)	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	2-phenyl-N-{5-[2-({2-[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]ethyl}sulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}acetamide	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	4jkt	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	04A	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	SCHEMBL2640644	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	Glutaminase Inhibitor II, BPTES	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	SNX1770	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	HMS3866K13	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	BCP15991	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	BPTES, >=95% (HPLC)	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	EX-A2297	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	SNX-1770	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	ZINC4426660	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	BDBM50400050	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	MFCD01079848	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	NSC798303	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	s7753	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	AKOS027470168	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	CCG-269883	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	CS-4586	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	NSC-798303	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	NCGC00420698-04	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	AC-29967	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	AS-70948	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	HY-12683	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	A14954	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	EN300-127250	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	US8604016, 1	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	Q27449834	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	Z1589183734	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	Bis[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazole-2-yl]ethyl] sulfide	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	(N,N'-[thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide)	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	N,N'-[Thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	2,2-(5,5-(2,2-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone)	PC_3372016
C24H24N6O2S3	524.7	O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	MDJIPXYRSZHCFS-UHFFFAOYSA-N	N,N'-(5,5'-(2,2'-Thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(2-phenylacetamide)	PC_3372016
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	AZD8835	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1620576-64-8	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	AZD-8835	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	AZD 8835	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	AZD 8835 [WHO-DD]	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	8B97A88D35	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1-Propanone, 1-(4-(5-(5-amino-6-(5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl)-2-pyrazinyl)-1-ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl)-3-hydroxy-	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1-Propanone, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-pyrazinyl]-1-ethyl-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-hydroxy-	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	compound 25 [PMID: 26475521]	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	GTPL8915	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	CHEMBL3894518	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	SCHEMBL15877923	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	UNII-8B97A88D35	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	BDBM185362	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	AZD8835?	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	BCP20347	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	EX-A2295	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	NSC786099	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	s7966	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	ZINC145460849	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	CCG-269444	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	CS-4984	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	NSC-786099	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	NCGC00484075-01	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	AC-32648	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	HY-12869	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	A16352	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	US9156831, 3	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	Q27074810	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-	PC_76685059
C22H31N9O3	469.5	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N	1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one	PC_76685059
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	AZD-4877	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	AZD4877	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	1176760-49-8	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	AZD 4877	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	CHEMBL1829433	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	19ORU63E06	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	758722-49-5	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	N-(3-aminopropyl)-N-(1-(5-benzyl-3-methyl-4-oxo-4,5-dihydroisothiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl)-4-methylbenzamide	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	n-(3-aminopropyl)-n-[1-(5-benzyl-3-methyl-4-oxo-4,5-dihydroisothiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	UNII-19ORU63E06	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	cc-722	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	N-(3-AMINOPROPYL)-N-(1-(5-BENZYL-3-METHYL-4-OXO-4,5-DIHYDROISOTHIAZOLO(5,4-D)PYRIMIDIN-6-YL)-2-METHYLPROPYL)-4-METHYLBENZAMIDE	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	SCHEMBL360703	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	GTPL7708	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	AZD 4877 [WHO-DD]	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	DTXSID301026070	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	BCP07430	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	BDBM50353788	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	DB11671	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	(+)-N-(3-Aminopropyl)-N-(1-(5-benzyl-3-methyl-4-oxo-(1,2)thiazolo(5,4-d)pyrimidin-6-yl)-2-methylpropyl)-4-methylbenzamide	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	Q27074751	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	N-(3-amino-propyl)-N-[-(5-benzyl-3-methyl-4-oxo-4,5-dihydro-isothiazolo[5,4-d]pyrimidin-6-yl)-2-methyl-propyl]-4-methyl-benzamide	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	N-(3-amino-propyl)-N-[1-(5-benzyl-3-methyl-4-oxo-4,5-dihydro-isothiazolo[5,4-d]pyrimidin-6-yl)-2-methyl-propyl]-4-methyl-benzamide	PC_10368812
C28H33N5O2S	503.7	Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NS3)C)C(=O)N2CC4=CC=CC=C4)C(C)C	SMFXSYMLJDHGIE-UHFFFAOYSA-N	N-(3-aminopropyl)-4-methyl-N-[2-methyl-1-[3-methyl-4-oxo-5-(phenylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]propyl]benzamide	PC_10368812
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	AZD3514	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	1240299-33-5	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	AZD-3514	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	1-(4-(2-(4-(1-(3-(Trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	CS-1443	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	127DSS8X7J	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	CHEMBL2346976	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	AZD 3514 [WHO-DD]	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	Ethanone, 1-(4-(2-(4-(1-(7,8-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-b)pyridazin-6-yl)-4-piperidinyl)phenoxy)ethyl)-1-piperazinyl)-	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	UNII-127DSS8X7J	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	SCHEMBL3056463	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	DTXSID80677133	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	HMS3652H18	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	AZD 3514	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	BCP07896	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	EX-A1806	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	BDBM50432188	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	NSC765776	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	s7040	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	AKOS027422738	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	ZINC101673084	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	CCG-264708	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	NSC-765776	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	SB19559	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	NCGC00386284-02	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	NCGC00386284-05	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	AC-35907	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	DA-35308	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	HY-16079	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	FT-0735650	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	SW219684-1	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	1-{4-[2-(4-{1-[3-(Trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenoxy)ethyl]piperazin-1-yl}ethan-1-one	PC_46893585
C25H32F3N7O2	519.6	CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N	6-(4-{4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine	PC_46893585
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	JNK-IN-2	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	1408077-04-2	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	CHEMBL3393606	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	SCHEMBL14979773	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	BDBM86627	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	CHEBI:95056	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	ZG-10	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	EX-A3511	PC_57340680
C28H27N7O2	493.6	CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	BRD-K61860715-001-01-2	PC_57340680
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	UNC0638	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	1255580-76-7	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	UNC-0638	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	UNC 0638	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	1255517-77-1	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	CHEMBL1231795	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	26A103L2FO	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	2-Cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	2-cyclohexyl-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	2-Cyclohexyl-N-(1-isopropyl-4-piperidinyl)-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	4-Quinazolinamine, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	2-Cyclohexyl-6-Methoxy-N-[1-(1-Methylethyl)piperidin-4-Yl]-7-(3-Pyrrolidin-1-Ylpropoxy)quinazolin-4-Amine	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	UNII-26A103L2FO	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	4-QUINAZOLINAMINE, 2-CYCLOHEXYL-6-METHOXY-N-(1-(1-METHYLETHYL)-4-PIPERIDINYL)-7-(3-(1-PYRROLIDINYL)PROPOXY)-	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	MLS006010242	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	GTPL7015	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	SCHEMBL14844528	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	CHEBI:95074	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	DTXSID30154787	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	HMS3426M09	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	HMS3743O07	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	BCP06142	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	EX-A2205	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	BDBM50353128	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	NSC764517	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	s8071	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	ZINC58638344	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	AKOS024458105	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	CCG-208706	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	CS-2035	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	NSC-764517	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	SB19045	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	NCGC00189220-01	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	NCGC00189220-03	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	NCGC00189220-05	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	AC-32711	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	AS-74910	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	HY-15273	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	SMR004701318	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	C72005	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	A920192	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	J-509244	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	Q27089086	PC_46224516
C30H47N5O2	509.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amin	PC_46224516
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	XMD8-92	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	1234480-50-2	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	XMD 8-92	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	2-[[2-Ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,11-dihydro-5,11-dimethyl-6H-pyrimido[4,5-B][1,4]benzodiazepin-6-one	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	XMD 8-92 (free base)	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	CHEMBL1673046	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	CHEBI:60325	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	4WG	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	Scaffold, B46	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	MLS003230939	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	SCHEMBL619295	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	GTPL8057	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	DTXSID10676750	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	EX-A999	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	HMS3295A13	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	HMS3653F13	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	BCP03605	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	BDBM50337134	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	MFCD18782742	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	s7525	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	ZINC64633932	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	AKOS024457992	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	CCG-269488	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	CS-0245	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	SB19429	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	NCGC00250385-01	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	NCGC00250385-02	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	NCGC00250385-11	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	AC-35690	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	AS-75126	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	BP-25377	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	DA-46979	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	HY-14443	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	SMR001913504	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	BCP0726000184	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	XMD8-92, >=98% (HPLC)	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	FT-0720255	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	SW209502-2	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	A13246	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	J-004942	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	Q27089252	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	2-(2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenylamino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	2-[2-Ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one	PC_46843772
C26H30N6O3	474.6	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C	QAPAJIZPZGWAND-UHFFFAOYSA-N	5-{[2-ETHOXY-4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL]AMINO}-2,9-DIMETHYL-2,4,6,9-TETRAAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(15),3,5,7,11,13-HEXAEN-10-ONE	PC_46843772
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	IOX2	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	931398-72-0	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	IOX 2	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	2-(1-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	CHEMBL3186774	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	N-[[1,2-Dihydro-4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]carbonyl]glycine	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	IOX2(Glycine)	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	IOX2 sodium salt	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	JICL38	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	MLS006011057	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	GTPL8229	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	SCHEMBL8244419	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	CHEBI:95087	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	DTXSID70715755	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	EX-A099	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	HMS3426G15	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	HMS3651B12	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	BCP06141	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	BCP25372	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	BDBM50510124	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	MFCD22580424	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	NSC794199	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	s2919	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	IOX2, >=98% (HPLC)	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	AKOS024458165	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	GSK-1002083-A	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	ZINC100073972	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	CCG-268051	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	CS-0988	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	NSC-794199	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	SB19301	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	NCGC00344625-02	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	NCGC00344625-13	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	AC-32087	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	BS-17896	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	DA-40407	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	HY-15468	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	SMR004702849	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	FT-0746473	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	SW219205-1	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	Q27078086	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	sodium (1-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycinate	PC_54685215
C19H16N2O5	352.3	O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O	CAOSCCRYLYQBES-UHFFFAOYSA-N	N-[[1,2-dihydro-4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]carbonyl]-glycine	PC_54685215
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Piperlongumine	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Piplartine	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	20069-09-4	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Piperlongumin	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	(E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	PPLGM	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	CHEBI:8241	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	SGD66V4SVJ	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,2,5,6-tetrahydropyridin-2-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BRD2293	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BRD-2293	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	2(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	UNII-SGD66V4SVJ	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	(E)-1-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2(1H)-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Piplartine;PPLGM	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Prestwick_399	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	MFCD00075706	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	FERROUSFLUOBORATE	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	ST079382	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Prestwick2_000604	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Prestwick3_000604	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Piperlongumine; Piplartine	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	PIPERLONGUMINE [MI]	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	5,6-Dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-pyridinone	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BSPBio_000508	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	PIPERLONGUMINE [INCI]	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	MLS002153903	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	SCHEMBL173092	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	SPECTRUM1505135	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BPBio1_000560	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	CHEMBL465843	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	SCHEMBL2465593	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	ACon1_001541	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	CHEBI:92424	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	DTXSID801029762	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	HMS1569J10	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	HMS2096J10	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	HMS2234K24	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Piperlongumine, >=97% (HPLC)	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	ZINC899053	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BCP13030	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	EX-A2925	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	HY-N2329	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BDBM50462013	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	NSC794671	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	s7551	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	AKOS024284776	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	CCG-214375	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	NSC-794671	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	2(1H)-Pyridinone, 5,6-dihydro-1-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (E)-	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	NCGC00096028-01	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	NCGC00096028-02	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	NCGC00096028-03	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	NCGC00096028-04	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	NCGC00096028-14	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	AC-32683	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	AS-74140	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BP-25401	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	LS-14579	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	SMR001233252	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	CS-0021113	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	P2361	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	A14124	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	EN300-7424497	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	A920539	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	SR-01000841248	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	A1-00162	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	J-012992	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	N-(3,4,5-Trimethoxycinnamoyl)-D3-piperidin-2-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Q7197361	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	SR-01000841248-2	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BRD-K24132293-001-05-3	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BRD-K24132293-001-09-5	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	BRD-K24132293-001-16-0	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	5,6-Dihydro-1-(3,4,5-trimethoxycinnamoyl)-2(1H)-pyridinone	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-5,6-dihydro-2(1H)-pyridinone	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-5,6-dihydro-2(1H)-pyridinone #	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone, 9CI	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	5,6-dihydro-1-[1-oxo-3-(3,4,5-triMethoxyphenyl)-allyl]-2(1H)-pyridinone	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-trans-2-propenyl]-2(1H)-pyridinone	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	Prop-2-en-1-one, 3-(3,4,5-trimethoxyphenyl)-1-(2,3-dihydropyridin-6(1H)-one-1-yl)-	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	(2E)-1-(1,2,5,6-Tetrahydro-2-oxopyridine-1-yl)-3-(3,4,5-trimethoxyphenyl)-2-propene-1-one	PC_637858
C17H19NO5	317.34	COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	2(1H)-PYRIDINONE, 5,6-DIHYDRO-1-(1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2- PROPENYL)-, (E)-	PC_637858
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	UNC1215	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	1415800-43-9	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	(2-(phenylamino)-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone)	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	UNC-1215	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	UNC 1215	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	CHEMBL2426364	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	N-Phenyl-2,5-bis({[4-(pyrrolidin-1-yl)piperidin-1-yl]carbonyl})aniline	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	[3-anilino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	2-Phenylamino-1,4-bis(4-(pyrrolidinyl)piperidinyl)benzamide	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	[2-(Phenylamino)benzene-1,4-Diyl]bis{[4-(Pyrrolidin-1-Yl)piperidin-1-Yl]methanone}	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	MLS006011024	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	GTPL8232	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	SCHEMBL19730381	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	CHEBI:95086	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	EX-A193	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	DTXSID301026044	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	HMS3426E15	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	HMS3652P22	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	HMS3744C05	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	2-Phenylamino-1,4-bis[4-(pyrrolidinyl)-piperidinyl)benzamide]	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	BCP07393	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	BDBM50440614	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	MFCD22683289	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	s7088	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	ZINC83253967	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	AKOS024458279	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	CCG-269911	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	CS-1646	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	SB19337	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	NCGC00344623-02	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	NCGC00344623-12	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	AC-32715	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	AS-16797	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	BP-21087	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	DA-45154	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	HY-15649	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	SMR004702819	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	UNC1215, >=98% (HPLC)	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	FT-0713405	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	SW220042-1	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	A857599	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	Q27089089	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	2-Phenylamino-1,4-[4-(pyrrolidinyl)piperidinyl)benzamide	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	N-phenyl-2,5-bis[4-(pyrrolidin-1-yl)piperidine-1-carbonyl]aniline	PC_57339144
C32H43N5O2	529.7	O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6	PQOOIERVZAXHBP-UHFFFAOYSA-N	Methanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]-	PC_57339144
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	UNC0642	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	1481677-78-4	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	UNC 0642	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	UNC-0642	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	2-(4,4-Difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	3DG5AHY932	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	CHEMBL2441082	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	2-(4,4-difluoropiperidin-1-yl)-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	Barrett	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	2-(4,4-Difluoro-1-piperidinyl)-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	4-Quinazolinamine, 2-(4,4-difluoro-1-piperidinyl)-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	4-Quinazolinamine, 2-(4,4-difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	UNII-3DG5AHY932	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	GTPL7017	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	SCHEMBL17372593	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	BCP08266	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	EX-A2241	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	BDBM50442103	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	s7230	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	ZINC96285772	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	AKOS024458509	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	CCG-269984	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	CS-5269	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	SB19046	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	NCGC00189140-01	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	NCGC00189140-02	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	AC-33189	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	AS-16721	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	HY-13980	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	UNC0642, >=98% (HPLC)	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	C72821	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	UNC 0642;UNC-0642; UNC0642	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	A911327	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	J-008448	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	Q27089087	PC_53315878
C29H44F2N6O2	546.7	COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F	RNAMYOYQYRYFQY-UHFFFAOYSA-N	2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine	PC_53315878
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	SGC0946	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	1561178-17-3	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	SGC 0946	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	SGC-0946	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	1-(3-((((2R,3S,4R,5R)-5-(4-Amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	CHEMBL3087498	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	1-[3-[[(2R,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-bromo-7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-beta-D-ribofuranosyl]-	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	5-Bromo-7-{5-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]-5-Deoxy-Beta-D-Ribofuranosyl}-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	AW2	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	MLS006011035	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	GTPL7020	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	SCHEMBL17433345	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	EX-A321	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	DTXSID101099663	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	AMY14749	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	BDBM50443016	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	MFCD26523136	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	s7079	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	ZINC97956664	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	AKOS024458211	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	CCG-270251	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	CS-3531	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	NCGC00344622-01	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	NCGC00344622-10	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	5-Bromo-7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-beta-D-7H-pyrrolo[2,3-d]pyrimidin-4-amine	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	AC-32710	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	BS-15720	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	BS174968	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	HY-15650	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	SMR004702828	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	SGC0946, >=98% (HPLC)	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	SW219393-1	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	J-009275	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	Q27088790	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	1-(3-((((2R,3S,4R,5R)-5-(4-Amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tert-butyl)ph	PC_56962337
C28H40BrN7O4	618.6	CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O	CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O	IQCKJUKAQJINMK-HUBRGWSESA-N	1-[3-[[[(2R,3S,4R,5R)-5-(4-Amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl](isopropyl)amino]propyl]-3-[4-(2,2-dimethylethyl)phenyl]urea	PC_56962337
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	5Z-7-Oxozeaenol	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	(5Z)-7-Oxozeaenol	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	LL-Z1640-2	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	CHEBI:67559	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	253863-19-3	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	CHEMBL1077979	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	LL-Z-1640-2	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	(3S,5Z,8S,9S,11E)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	(3s,5z,8s,9s,11e)-8,9,16-Trihydroxy-14-Methoxy-3-Methyl-3,4,9,10-Tetrahydro-1h-2-Benzoxacyclotetradecine-1,7(8h)-Dione	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	66018-38-0	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	FR148083	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	FR-148083	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	GTPL8077	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	SCHEMBL3841555	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	CHEBI:95343	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	DTXSID90432058	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	BDBM50042034	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	MFCD12912700	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	ZINC14852066	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	AKOS030213203	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	5Z-7-Oxozeaenol, >=98% (HPLC)	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	LL-Z 1640-2	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	NCGC00186421-03	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	NCGC00186421-04	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	NCGC00186421-07	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	NCGC00244249-02	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	(2E,5S,6S,8Z,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	HY-12686	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	CS-0012266	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	L783279	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	Q27074007	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-BYRRXHGESA-N	(4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione	PC_9863776
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	5E-7-oxozeaenol	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	CHEBI:67558	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	(5E)-7-Oxozeaenol	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	CHEMBL1801950	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	(5Z)-7-Oxozeaenol	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	Cochliomycin F	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	5Z-7-Oxozeaenol	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	(4S,6E,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	LL Z1640-2	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	LL-Z-1640-2	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	253863-19-3	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	SCHEMBL3841564	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	SCHEMBL18290352	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	BDBM414418	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	66018-38-0	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	BDBM50129126	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	AKOS024457711	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	ZINC100091176	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	C292	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	US10434085, Compound (5Z)-7-oxozeaenol	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	L 783278	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	Q27136023	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	(2E,5S,6S,8E,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,8,14,16-pentaene-7,13-dione	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-ULSULSEOSA-N	(3S,5E,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione	PC_9799061
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	(5Z)-7-Oxozeaenol	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	253863-19-3	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	5Z-7-Oxozeaenol	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	LL Z1640-2	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	LL-Z-1640-2	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	(3S,5E,8S,9S,11E)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	1198574-97-8	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	66018-38-0	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	ZINC100006706	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C\C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UXGSFGIESA-N	C-292	PC_44120140
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	5Z-7-Oxozeaenol	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	66018-38-0	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	FR148083;L783279;LL-Z 1640-2	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	FR 148083; L 783279	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	253863-19-3	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	LL-Z-1640-2	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	(5Z)-7-Oxozeaenol	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	LL Z1640-2	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	HMS3672M19	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	BCP34467	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	L-783279; 5-Z-7-O; L783279; LL-Z 1640-2;FR148083	PC_53442201
C19H22O7	362.4	COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O	CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	NEQZWEXWOFPKOT-UHFFFAOYSA-N	9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione	PC_53442201
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	PHENFORMIN	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	114-86-3	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N-Phenethylbiguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Fenformin	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenformine	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenethyldiguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Fenformina	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Pedg	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenylethylbiguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Cronoformin	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Fenfoduron	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Fenormin	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Glukopostin	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenformix	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Debeone	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Diabis	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Dibiraf	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Dibotin	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Glyphen	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Retardo	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Db-retard	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	beta-PEBG	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Imidodicarbonimidic diamide, N-(2-phenylethyl)-	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	DB Comb	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	1-Phenethylbiguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	beta-Phenethylbiguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenforminum	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Normoglucina	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Fenformina [INN-Spanish]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenformine [INN-French]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenforminum [INN-Latin]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N-(2-Phenylethyl)imidodicarbonimidic diamide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Biguanide, 1-phenethyl-	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	beta-Phenethybiguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	W 32	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NCI-C01741	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	CHEBI:8064	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenoformine hydrochloride	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Feguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Lentobetic	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Azucaps	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Debinyl	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Insoral	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Dibein	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	1-carbamimidamido-N-(2-phenylethyl)methanimidamide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	D Bretard	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N-Phenethylbiguanide hydrochloride	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	CHEMBL170988	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	DD5K7529CE	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	1-(diaminomethylidene)-2-(2-phenylethyl)guanidine	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	2-(N-phenethylcarbamimidoyl)guanidine	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	MFCD00242966	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	114-86-3 (FREE BASE)	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenformine HCl	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenformin [INN:BAN]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Phenformin (BAN)	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	CCRIS 500	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N'-beta-Phenethylformamidinylliminourea	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	HSDB 3154	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N'-beta-Fenetilformamidiniliminourea	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NCGC00016543-01	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	CAS-834-28-6	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N'-beta-Fenetilformamidiniliminourea [Italian]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	EINECS 204-057-4	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	BRN 1977317	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	UNII-DD5K7529CE	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Dipar (Salt/Mix)	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	.beta.-PEBG	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Meltrol (Salt/Mix)	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	PHENFORMIN [MI]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	PHENFORMIN [INN]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	.beta.-Phenethylbiguanide	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Prestwick0_000179	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Prestwick1_000179	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Prestwick2_000179	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Prestwick3_000179	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	PHENFORMIN [HSDB]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	PHENFORMIN [VANDF]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	SCHEMBL8424	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	PHENFORMIN [WHO-DD]	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	BSPBio_000077	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	KBioGR_002392	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	KBioSS_002397	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	4-12-00-02472 (Beilstein Handbook Reference)	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	MLS006011899	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	SPBio_001998	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	BPBio1_000085	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	DTXSID1023449	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	SCHEMBL10325620	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	SCHEMBL17300524	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	KBio2_002392	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	KBio2_004960	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	KBio2_007528	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	KBio3_002871	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	cMAP_000038	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	HMS3604G03	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	ALBB-026048	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	ZINC5851063	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	AC3005	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	BBL010845	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	BDBM50237608	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	BDBM50240908	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NSC756501	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	STK635703	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	1-carbamimidoyl-3-phenethyl-guanidine	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	AKOS005567415	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N'-.beta.-Fenetilformamidiniliminourea	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	DB00914	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NSC-756501	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NCGC00016543-02	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NCGC00016543-03	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NCGC00016543-04	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NCGC00016543-05	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	NCGC00016543-08	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	CS-11859	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N'-.beta.-Phenethylformamidinylliminourea	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	SMR004703510	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	SY031759	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N-(2-Phenylethyl)dicarbonimidic diamide #	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	SBI-0206879.P001	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	C07673	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	D08351	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	EN300-7418232	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Q753100	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N''''-{amino[(2-phenylethyl)imino]methyl}guanidine	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	BRD-K11399644-003-03-0	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N-(2-phenylethyl)imidodicarbonimidic diamide(Phenformin)	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	Imidodicarbonimidic diamide, N-(2-phenylethyl)-, hydrochloride	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N''''-[(E)-amino(imino)methyl]-N-(2-phenylethyl)guanidine	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	N-amino(imino)methyl-N-phenethyliminomethanediamine(Phenformin)	PC_8249
C10H15N5	205.26	NC(N)=NC(N)=NCCc1ccccc1	C1=CC=C(C=C1)CCN=C(N)N=C(N)N	ICFJFFQQTFMIBG-UHFFFAOYSA-N	8CV	PC_8249
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	CAY10603	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	1045792-66-2	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	BML-281	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	HDAC6 Inhibitor	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	CHEMBL511749	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	CAY-10603	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	tert-butyl 4-(3-(7-(hydroxyamino)-7-oxoheptylcarbamoyl)isoxazol-5-yl)phenylcarbamate	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	(4-(3-(6-hydroxycarbamoylhexylcarbamoyl)isoxazol-5-yl)phenyl)carbamic acid tert-butyl ester	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	{4-[3-(6-Hydroxycarbamoylhexylcarbamoyl)isoxazol-5-yl]phenyl}carbamic acid tert-butyl ester	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	HDAC6 inhibitor ISOX	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	HDAC6	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	MLS006010316	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	GTPL9664	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	SCHEMBL1932723	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	CHEBI:94306	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	DTXSID70648059	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	HMS3648E12	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	BCP13475	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	BDBM50261816	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	MFCD17010286	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	s7596	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	ZINC40880490	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	AKOS026750292	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	CCG-208664	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	compound 3 [PMID: 18642892]	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	CS-3491	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	NCGC00250390-01	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	NCGC00250390-07	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	HY-18613	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	SMR004701381	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	EC-000.2466	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	A16431	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	S11749	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	A906877	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	SR-01000946357	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	J-001196	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	SR-01000946357-1	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	BRD-K69840642-001-01-4	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	Q27166125	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	t-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	tert-butyl 4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	tert-Butyl [4-(3-{[7-(hydroxyamino)-7-oxoheptyl]carbamoyl}-1,2-oxazol-5-yl)phenyl]carbamate	PC_24951314
C22H30N4O6	446.5	CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO	WWGBHDIHIVGYLZ-UHFFFAOYSA-N	TERT-BUTYL N-[4-(3-{[6-(HYDROXYCARBAMOYL)HEXYL]CARBAMOYL}-1,2-OXAZOL-5-YL)PHENYL]CARBAMATE	PC_24951314
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	STF-62247	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	315702-99-9	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	Autophagy Inducer, STF-62247	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	4-(pyridin-4-yl)-N-(m-tolyl)thiazol-2-amine	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	N-(3-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	4-(pyridin-4-yl)-N-m-tolylthiazol-2-amine	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	STF62247	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	STF 62247	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	N-(3-methylphenyl)-4-(pyridin-4-yl)-1,3-thiazol-2-amine	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	SMR000279642	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	SR-01000477178	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	Oprea1_055220	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	Oprea1_578909	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	MLS000765936	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	MLS006011714	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	SCHEMBL996232	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	N-(3-Methylphenyl)-4-(4-pyridinyl)-2-thiazolamine	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	CHEMBL565269	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	ZINC88369	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	DTXSID90351598	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	CHEBI:125656	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	HMS2667I13	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	HMS3648C10	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	HMS3654K09	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	EX-A2421	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	CCG-19235	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	MFCD01121974	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	s1041	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	AKOS002382987	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	CS-5950	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	SB52241	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	NCGC00344081-02	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	NCGC00344081-04	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	AC-32639	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	AS-59343	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	HY-100746	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	FT-0719423	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	SW220203-1	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	EC-000.2320	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	J3.666.560B	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	STF-62247, >=98% (HPLC), solid	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	J-018470	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	N-(3-methylphenyl)-4-pyridin-4-yl-2-thiazolamine	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	SR-01000477178-1	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	SR-01000477178-3	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	Q27216266	PC_704473
C15H13N3S	267.4	Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1	CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3	KATNUHQNJGNLPW-UHFFFAOYSA-N	N-(3-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine	PC_704473
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Tubastatin A	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	1252003-15-8	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Tubastatin-A	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Tubastatin A BASE	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Tubastatin A (free base)	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N-hydroxy-4-((2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Tubastatin A(free base)	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	2XTSOX1NF8	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Tubastatin A (trifluoroacetate)	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	CHEMBL2018302	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	1252003-15-8 (free base)	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Tubastatin A Trifluoroacetate	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Benzamide, N-hydroxy-4-((1,2,3,4-tetrahydro-2-methyl-5H-pyrido(4,3-b)indol-5-yl)methyl)-	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N-Hydroxy-4-((1,2,3,4-tetrahydro-2-methyl-5H-pyrido(4,3-b)indol-5-yl)methyl)benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	TubaststinA HCl	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N-Hydroxy-4-((2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl)benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N-hydroxy-4-[(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Benzamide, N-hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N9W	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	UNII-2XTSOX1NF8	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	MLS006011088	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	GTPL9702	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	SCHEMBL1057119	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	CHEBI:94186	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	EX-A685	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	DTXSID701318079	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	HMS3656P20	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	HMS3744E15	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	BCP09011	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	CAC00315	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	BDBM50380399	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	HY-13271A	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	MFCD18071463	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	s8049	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	ZINC51951670	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	AKOS027422742	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	CCG-267860	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	CS-5376	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	SB19289	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	NCGC00263606-03	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	NCGC00263606-15	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	AS-16945	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	DA-46698	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	SMR004702876	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	FT-0700144	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	SW219287-2	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	EC-000.2473	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	US8748451, 6	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	J-690100	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	BRD-K00627859-001-01-5	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	Q27165946	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzenecarbohydroxamic acid	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N-hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	N-Hydroxy-4-[(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole-5-yl)methyl]benzamide	PC_49850262
C20H21N3O2	335.4	CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO	GOVYBPLHWIEHEJ-UHFFFAOYSA-N	1-(4-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-6-methyl-5-heptene-1,4-dione	PC_49850262
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	58131-57-0	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC 207895	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC-207895	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC207895	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC 179940	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	XI-006	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	MLS000756495	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	4-(4-Methyl-1-piperazinyl)-7-nitro-benzofurazan 3-oxide	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	BENZOFURAZAN, 7-(4-METHYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC-179940	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	SMR000528763	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC-207895 (XI-006)	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	4-(4-methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole, 3-oxide	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	7-(4-Methyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	WLN: T56 BNONJ BO FNW I- AT6N DNTJ D1	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	B2368	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC 207895 (XI-006)	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NCIStruc1_000831	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NCIStruc2_001869	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	cid_42640	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	MLS006011023	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	SCHEMBL8738959	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	CHEMBL1608727	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	BDBM51256	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	DTXSID50206858	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	HMS2861M23	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	XI006	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	ZINC5180959	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC179940	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	s2678	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-1-ium-1-olate	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	BCP9000997	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NCGC00246958-01	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NCGC00246958-02	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NCGC00246958-03	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	HY-14714	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NCI60_001741	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	BCP0726000315	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	CS-0003525	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC-207895 - XI-006	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	NSC?207895?(XI-006)	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	7-(4-methylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	2,1,3-Benzoxadiazole,4-(4-methyl-1-piperazinyl)-7-nitro-,3-oxide	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	4-(4-methyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	7-(4-methylpiperazin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazole 1-oxide	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	4-(4-methylpiperazin-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium	PC_42640
C11H13N5O4	279.25	CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N	4-(hydroxy(oxido)amino)-7-(4-methyl-1-piperazinyl)-2,15,3-benzoxadiazol-1-ol	PC_42640
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	49843-98-3	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Selisistat	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX-527	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX 527	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SEN0014196	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SIRT1 Inhibitor III	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Selisistat [INN]	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX527	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Selisistat S-enantiomer	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX 527 (Selisistat)	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Selisistat (EX 527)	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	CHEMBL420311	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	CHEBI:90369	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	rac-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	L19ECD5014	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	1H-Carbazole-1-carboxamide, 6-chloro-2,3,4,9-tetrahydro-	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX-527 (S-enantiomer)	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	UNII-L19ECD5014	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SEN-0014196	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX-527(Selisistat)	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX 527 (SEN0014196)	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Cambridge id 6859180	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SELISISTAT [WHO-DD]	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Oprea1_353257	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Oprea1_367943	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	MLS006011757	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	GTPL8100	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SCHEMBL1275557	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX-527 (SELISISTAT)	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	DTXSID10964442	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	HMS3426E09	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	HMS3654P22	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	HMS3743I17	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	HMS3747M05	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	HMS3884K19	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	BCP02889	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX-A1064	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	BDBM50178769	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	MFCD03009471	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	s1541	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	STK522511	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	AKOS002364303	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	AB88646	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	AB89313	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	BCP9000673	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	CCG-208710	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	CS-0960	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	DB13978	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SB16664	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX 527,SEN0014196	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	NCGC00242458-01	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	AC-32746	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	HY-15452	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SMR004703473	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	BCP0726000108	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	DB-082965	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	EX-527, >=98% (HPLC)	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	FT-0698480	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SW218147-2	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	A21392	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	AB00121519-01	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SR-01000501008	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	SR-01000501008-1	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	BRD-A73908300-001-04-2	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	Q27088776	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	(+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide	PC_5113032
C13H13ClN2O	248.71	NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, amide	PC_5113032
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NG25	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	1315355-93-1	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NG-25	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	CHEMBL4125960	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NG 25	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	3-((1H-Pyrrolo[2,3-b]pyridin-4-yl)oxy)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methylbenzamide	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-benzamide	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	N-{4-[(4-Ethylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl}-4-Methyl-3-(1h-Pyrrolo[2,3-B]pyridin-4-Yloxy)benzamide	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	CS-0875	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	GTPL8074	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	SCHEMBL17244048	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	DTXSID60693497	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	HMS3674C07	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	BCP28600	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	EX-A1538	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NG 25;NG-25	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NG25; NG 25	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	BDBM50515041	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	s8868	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	ZB1595	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	ZINC98209221	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	AKOS027324821	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NCGC00379041-02	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NCGC00379041-03	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	AC-35824	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	BS-15181	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	HY-15434	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NG25 trihydrochloride, >=98% (HPLC)	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	HG-7-92-01	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	D70760	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	Q27087914	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	N-{4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-[(1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]benzamide	PC_53340664
C29H30F3N5O2	537.6	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F	SMPGEBOIKULBCT-UHFFFAOYSA-N	NG2	PC_53340664
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	PIK-93	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	593960-11-3	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	PIK 93	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	PIK93	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	N-(5-(4-Chloro-3-(N-(2-hydroxyethyl)sulfamoyl)phenyl)-4-methylthiazol-2-yl)acetamide	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	CHEMBL1229535	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	N-(5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	PI-93	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	2chz	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	Shokat PI3K/PI 93	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	SCHEMBL48649	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	MLS006010977	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	GTPL6062	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	DTXSID30425868	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	BCPP000106	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	HMS3654F16	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	HMS3672K13	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	BCP01969	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	EX-A2137	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	ZINC3817546	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	BDBM50042924	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	s1489	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	AKOS016362896	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	CCG-264899	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	CS-0203	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	DB06836	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	SB19248	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	NCGC00346536-01	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	NCGC00346536-06	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	AC-32793	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	AS-16222	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	HY-12046	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	SMR004702780	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	FT-0761476	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	SW219245-1	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	D70986	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	960P113	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	J-523090	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	Q27088391	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	N-[5-[4-Chloro-3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]-4-methyl-2-thiazoly]acetamide	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide	PC_6852167
C14H16ClN3O4S2	389.9	CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1	CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO	JFVNFXCESCXMBC-UHFFFAOYSA-N	PIK-93; N-[(2Z)-5-(4-CHLORO-3-{[(2-HYDROXYETHYL)AMINO]SULFONYL}PHENYL)-4-METHYL-1,3-THIAZOL-2(3H)-YLIDENE]ACETAMIDE	PC_6852167
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	2-Phenylnicotinic acid	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	33421-39-5	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	2-phenylpyridine-3-carboxylic acid	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	2-Phenyl-nicotinic acid	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	2-Phenyl-3-pyridinecarboxylic acid	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	2-PhenylnicotinicAcid	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	MFCD03069417	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	3-Pyridinecarboxylic acid, 2-phenyl-	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	EINECS 251-510-7	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	SCHEMBL912675	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	2-PHENYL NICOTINIC ACID	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	DTXSID80187060	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	2-Phenylpyridin-3ylcarboxylic acid	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	ACT10287	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	ZINC1715701	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	NSC127178	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	AKOS015891494	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	NSC 127178	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	NSC-127178	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	PS-4937	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	SB52334	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	WT82579	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	SY017179	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	DB-011087	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	AM20051081	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	CS-0060518	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	FT-0645198	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	P2452	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	A23260	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	EN300-100753	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	421P395	PC_97489
C12H9NO2	199.2	O=C(O)c1cccnc1-c1ccccc1	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O	VLQVAEFYIADOKI-UHFFFAOYSA-N	J-510266	PC_97489
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	865362-74-9	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	FR 180204	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	FR180204	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	FR-180204	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	ERK inhibitor II	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	4C7X7GV82C	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	CHEMBL259551	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	1H-Pyrazolo(3,4-C)pyridazin-3-amine, 5-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	5-(2-Phenylpyrazolo(1,5-a)pyridin-3-yl)-2H-pyrazolo(3,4-C)pyridazin-3-amine	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	5-{2-phenylpyrazolo[1,5-a]pyridin-3-yl}-1H-pyrazolo[3,4-c]pyridazin-3-amine	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	5-{2-phenylpyrazolo[1,5-a]pyridin-3-yl}-2H-pyrazolo[3,4-c]pyridazin-3-amine	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	UNII-4C7X7GV82C	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	MLS002607685	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	MLS006010291	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	GTPL5966	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	SCHEMBL1801785	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	SCHEMBL15017777	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	CHEBI:91383	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	DTXSID30693489	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	HMS3229G06	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	HMS3414B05	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	HMS3678B05	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	HMS3743A05	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	BCP09857	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	EX-A1490	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	BDBM50229978	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	MFCD14585805	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	s7524	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	ZINC28565323	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	CCG-206837	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	DB07794	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	EE-0007	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	SB19430	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	NCGC00183912-01	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	NCGC00183912-09	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	NCGC00183912-13	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	AC-35916	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	DA-33619	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	SMR001522560	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	SMR004701360	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	FK-180204	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	F1214	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	FT-0709131	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	SW218212-2	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	J3.509.348F	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	A14119	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	FR180204, >=98% (HPLC)	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	BRD-K68756823-001-03-0	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	Q27077219	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	ERK Inhibitor II, FR180204 - CAS 865362-74-9	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-7H-pyrazolo[3,4-c]pyridazin-5-amine	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3 -ylamine	PC_11493598
C18H13N7	327.3	Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N	XVECMUKVOMUNLE-UHFFFAOYSA-N	5-(2-phenylH-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine	PC_11493598
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zibotentan	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	186497-07-4	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZD4054	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zibotentan (ZD4054)	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZD-4054	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	N-(3-METHOXY-5-METHYLPYRAZIN-2-YL)-2-[4-(1,3,4-OXADIAZOL-2-YL)PHENYL]PYRIDINE-3-SULFONAMIDE	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zd 4054	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	2-(4-(1,3,4-oxadiazol-2-yl)phenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zibotentan (ZD4054 )	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	N-(3-Methoxy-5-methyl-2-pyrazinyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridinesulfonamide	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	8054MM4902	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zibotentan [USAN:INN:JAN]	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	UNII-8054MM4902	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZibotentanZD4054	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zibotentan,ZD4054	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZIBOTENTAN [MI]	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZIBOTENTAN [INN]	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZIBOTENTAN [JAN]	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZIBOTENTAN [USAN]	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZIBOTENTAN [MART.]	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZD4054 Form 1	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZIBOTENTAN [WHO-DD]	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	MLS006011121	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	SCHEMBL847090	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zibotentan (JAN/USAN/INN)	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	GTPL3539	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	CHEMBL1628688	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Zibotentan, >=98% (HPLC)	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	CHEBI:94573	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	DTXSID70870171	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	HMS3654H10	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	BCP02389	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	ZINC1491485	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	BDBM50532593	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	MFCD09955343	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	s1456	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	AKOS015909372	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	CCG-264894	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	CS-0492	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	DB06629	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	SB17118	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	NCGC00242479-01	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	NCGC00242479-02	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	NCGC00242479-03	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	NCGC00242479-05	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	AC-32741	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	AS-57168	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	HY-10088	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	SMR004702902	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	FT-0768122	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	SW219504-1	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Z-130	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	D07741	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	H11009	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	L001670	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	Q198371	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	BRD-K31553034-001-01-4	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	3-PYRIDINESULFONAMIDE, N-(3-METHOXY-5-METHYL-2-PYRAZINYL)-2-(4-(1,3,4-OXADIAZOL-2-YL)PHENYL)-	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	3-Pyridinesulfonamide, N-(3-methoxy-5-methylpyrazinyl)-2-(4-(1,3,4-oxadiazol-2-yl)phenyl)-	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	N-(3-METHOXY-5-METHYLPYRAZIN-2-YL)-2-(4-(1,3,4-OXADIAZOL-2-YL)PHENYL)PRIDINE-3-SULFONAMIDE	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	N-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2- yl)phenyl]pyridine-3-sulfonamide	PC_9910224
C19H16N6O4S	424.4	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1	CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4	FJHHZXWJVIEFGJ-UHFFFAOYSA-N	N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide.	PC_9910224
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BIX 02189	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BIX02189	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	1094614-85-3	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	1265916-41-3	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BIX-02189	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	(Z)-3-((3-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-N,N-dimethyl-2-oxoindoline-6-carboxamide	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BIX-02189(Random Configuration)	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	(E/Z)-BIX02189	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	(3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-6-carboxamide	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	(Z)-3-(((3-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-N,N-dimethyl-2-oxoindoline-6-carboxamide	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	(3Z)-3-[[[3-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	3-(((3-((Dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-N,N-dimethyl-2-oxoindoline-6-carboxamide	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	MLS006011058	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	GTPL9380	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	CHEMBL3182395	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	SCHEMBL12700719	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	SCHEMBL16684970	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	SCHEMBL16684971	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	CHEBI:91423	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	EX-A222	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	DTXSID201025843	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	HMS3295M03	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	HMS3654B22	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BCP11307	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BIX-02189 (Random Configuration)	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	s1531	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	ZINC52509453	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	AKOS024458373	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	AKOS026750473	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	ZINC169340863	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	CCG-269126	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	NCGC00346544-01	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	AC-28463	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	AC-36851	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	AS-16769	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BIX02189 (BIX 02189	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	DA-31829	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	SMR004702850	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	DB-059910	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	SW219634-1	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	A11890	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	BRD-K73368362-001-01-8	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	Q27163273	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	((3-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-N,N-dimethyl-2-oxoindoline-6-carboxamide	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	(3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxa	PC_135659062
C27H28N4O2	440.5	CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1	CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O	ZGXOBLVQIVXKEB-UHFFFAOYSA-N	3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide	PC_135659062
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	Cot inhibitor-2	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	915363-56-3	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	Wyeth Cot Inhibitor 2	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methylamino]quinoline-3-carbonitrile	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	3-Quinolinecarbonitrile, 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	cot-inhibitor-2	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	CHEMBL527026	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	SCHEMBL4962096	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	BDBM29923	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	CHEBI:91415	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	DTXSID50657644	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	HMS3295K05	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	EX-A6263	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	MFCD13184702	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	ZINC42921365	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	KIN001-266	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	NCGC00273985-02	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	NCGC00273985-03	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	NCGC00273985-04	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	HY-32018	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	DB-015004	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	FT-0759876	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	substituted 6-aminoquinoline-3-carbonitrile, 34	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	363Q563	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	BRD-K49468759-001-01-8	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	Q27163268	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	8-Chloro-4-(3-chloro-4-fluoroanilino)-6-({[1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}amino)quinoline-3-carbonitrile	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrile	PC_44143370
C26H25Cl2FN8	539.4	CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1	CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl	PHNZIIMWDVXPGG-UHFFFAOYSA-N	8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}amino)quinoline-3-carbonitrile	PC_44143370
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	GW2580	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	870483-87-7	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	GW-2580	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	GW 2580	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	GW632580X	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	SRV0JCF9LI	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	SC-203877	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	cFMS Receptor Tyrosine Kinase Inhibitor	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-(3-METHOXY-4-(4-METHOXYBENZYLOXY)BENZYL)PYRIMIDINE-2,4-DIAMINE	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	2,4-Pyrimidinediamine, 5-((3-methoxy-4-((4-methoxyphenyl)methoxy)phenyl)methyl)-	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	CSF-1 Receptor Inhibitor	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	UNII-SRV0JCF9LI	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-[3-Methoxy-4-[(4-methoxybenzyl)oxy]benzyl]pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	2,4-Pyrimidinediamine, 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	Kinome_3757	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	4at5	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	cFMS Receptor Tyrosine Kinase	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	CHEMBL261849	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	GTPL5685	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	SCHEMBL4326587	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	BDBM32362	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	DTXSID10236095	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	EX-A579	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	cid_11617559	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	HMS3229E11	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	HMS3303G12	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	HMS3305H21	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	HMS3653B06	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	HMS3673K11	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	BCP06918	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	MFCD12024701	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	NSC756292	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	s8042	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	ZINC13985942	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	AKOS022179064	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	AM81255	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	CCG-206754	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	CS-3490	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	NSC-756292	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	SB19390	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	NCGC00242051-01	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	NCGC00242051-11	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	AC-32806	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	AS-55846	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	HY-10917	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	GW-2580 (GW2580)	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	FT-0700386	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	G-255	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	G0504	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	SW212674-2	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	A11959	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	AB01092267-01	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	A862920	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	Q27077940	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	cFMS Receptor Tyrosine Kinase Inhibitor - CAS 870483-87-7	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	[2-amino-5-(3-methoxy-4-p-anisyloxy-benzyl)pyrimidin-4-yl]amine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-[3-Methoxy-4-(4-methoxybenzyloxy)-benzyl]pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-[3-Methoxy-4-(4-methoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-[[3-Methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-2,4-pyrimidinediamine	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine.	PC_11617559
C20H22N4O3	366.4	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N	MUJ	PC_11617559
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	937174-76-0	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	GSK690693	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	GSK-690693	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	GSK 690693	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	(S)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-3-butyn-2-ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	CHEBI:90677	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	GWH480321B	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-{2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-1-Ethyl-7-[(3s)-Piperidin-3-Ylmethoxy]-1h-Imidazo[4,5-C]pyridin-4-Yl}-2-Methylbut-3-Yn-2-Ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	(R)-4-(2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-(PIPERIDIN-3-YLMETHOXY)-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL)-2-METHYLBUT-3-YN-2-OL	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	UNII-GWH480321B	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-3-butyn-2-ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	G93	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	compound 3g [PMID 18800763]	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	SCHEMBL310452	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	CHEMBL494089	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	GTPL5196	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	pan-Akt inhibitor GS690693	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	BDBM25013	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	DTXSID60239551	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	EX-A031	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	BCP01721	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	MFCD18711681	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	NSC766991	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	NSC800766	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	s1113	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	ZINC34285211	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	AKOS015904356	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	AT18727	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	BCP9000745	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	CCG-264825	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	DB12745	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	NSC-766991	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	NSC-800766	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	NCGC00263181-01	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	AC-23166	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	AS-16204	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	BG174974	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	HY-10249	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	GSK690693,GSK-690693	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	SW218127-2	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	GSK690693, >=98% (HPLC)	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	A25176	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	174G760	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	J-502225	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	Q27077916	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	(-)-4-(2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-((3S)-3-PIPERIDINYLMETHOXY)-1H-IMIDAZO(4,5-C)PYRIDIN-4-YL)-2-METHYL-3-BUTYN-2-OL	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	(R)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-yl-MeO)-1H-imidazo[4,5-c]pyridin-4-yl)-2-Me-but-3-yn-2-ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	3-BUTYN-2-OL, 4-(2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-((3S)-3-PIPERIDINYLMETHOXY)-1H-IMIDAZO(4,5-C)PYRIDIN-4-YL)-2-METHYL-	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-(2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-((3S)-3-PIPERIDINYLMETHOXY)-1H-IMIDAZO(4,5-C)PYRIDIN-4-YL)-2-METHYL-3-BUTYN-2-OL, (-)-	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-piperidin-3-yl]methoxy}-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol	PC_16725726
C21H27N7O3	425.5	CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3	PC_16725726
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	QL-X-138	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	1469988-63-3	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	N-(2-Methyl-5-(2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)phenyl)acrylamide	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	starbld0031584	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	CHEMBL4075449	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	SCHEMBL17052537	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	CHEBI:94724	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	BDBM400813	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	DTXSID401025732	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	HMS3265M17	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	US10000483, Compound II-6	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	HY-124645	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	CS-0087228	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	BRD-K72636697-001-01-5	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	Q27166517	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	N-(2-Methyl-5-(2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)phenyl)prop-2-enamide	PC_73707530
C25H19N5O2	421.4	C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	N-[2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)-1-benzo[h][1,6]naphthyridinyl]phenyl]-2-propenamide	PC_73707530
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	293754-55-9	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	T0901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	T 0901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	T-0901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	TO-901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	TO901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	CHEMBL62136	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	Benzenesulfonamide, N-(2,2,2-trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	T-1317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	A07663A39I	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-(2,2,2-trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	Benzenesulfonamide,N-(2,2,2-trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	[3H]T0901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SR-05000000453	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	UNII-A07663A39I	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	1pqc	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	BENZENESULFONAMIDE, N-(2,2,2-TRIFLUOROETHYL)-N-(4-(2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL)PHENYL)-	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-(2,2,2-TRIFLUOROETHYL)-N-(4-(2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL)PHENYL)BENZENESULFONAMIDE	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	2o9i	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	4nb6	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	TO 901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	T 1317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	MLS002554297	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SCHEMBL457231	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	GTPL2755	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	DTXSID6040618	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	BDBM19993	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	HMS3268P10	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	HMS3413I08	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	HMS3649G14	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	HMS3652B22	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	HMS3677I08	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	HMS3886B11	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	ML125	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	BCP03658	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	EX-A1278	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	ZINC1550221	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	s7076	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	AKOS017345034	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	CCG-269558	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	CS-5951	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	DB07080	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SB19595	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	NCGC00159555-01	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	NCGC00159555-02	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	NCGC00159555-03	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	NCGC00159555-06	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	AC-32646	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	HY-10626	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SMR001456586	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	BCP0726000164	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SW203816-2	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	J1.503.100J	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	C74506	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	A876482	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	J-017492	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SR-05000000453-1	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SR-05000000453-2	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	SR-05000000453-5	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	T-901317	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	BRD-K23383398-001-01-6	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	Q27088909	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	T0901317, >=98%	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	Benzenesulfonamide,?N-(2,2,2-trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-(2,2,2-Trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1(trifluoromethyl)ethyl]phenyl]-benzenesulfonamide	PC_447912
C17H12F9NO3S	481.3	O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O	SGIWFELWJPNFDH-UHFFFAOYSA-N	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2, 2-trifluoroethyl)benzenesulfonamide	PC_447912
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Amuvatinib	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	850879-09-3	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	MP-470	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	MP470	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	MP 470	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HPK56	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Amuvatinib (MP-470)	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HPK 56	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HPK-56	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	SO9S6QZB4R	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro-[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	1-Piperazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro(3,2-d)pyrimidin-4-yl-	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide.	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Amuvatinib [USAN]	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Amuvatinib [USAN:INN]	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Amuvatinib (MP-470, HPK 56)	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	UNII-SO9S6QZB4R	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	1-Piperazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidin-4-yl-	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Amuvatinib(MP470)	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	AMUVATINIB [INN]	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Amuvatinib (USAN/INN)	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	AMUVATINIB [WHO-DD]	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	SCHEMBL93976	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	MLS006010954	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	GTPL7932	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	CHEMBL2103851	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	CHEBI:91389	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	DTXSID50234176	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	EX-A236	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	BCPP000157	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HMS3244A11	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HMS3244A12	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HMS3244B11	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HMS3295E01	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HMS3654D07	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	MP-470 (RAD51)	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	BDBM50172081	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	MFCD16038298	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	NSC754349	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	NSC799332	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	s1244	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	ZINC34951302	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	AKOS025149102	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	BCP9000965	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	CCG-264877	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	CS-0178	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	DB12742	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	NSC-754349	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	NSC-799332	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	SB19384	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(1,3-Benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidin-4-yl-1-piperazinecarbothioamide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	NCGC00263158-01	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	NCGC00263158-07	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	AC-32058	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	AS-16213	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	HY-10206	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(1,3-Benzodioxol-5-ylmethyl)-4-(benzofuro(3,2-d)pyrimidin-4-yl)piperazine-1- carbothioamide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	SMR004702758	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	FT-0717843	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	SW219808-1	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	D09864	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	EN300-7401591	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	879B093	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	J-523155	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	BRD-K66538826-001-01-5	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	Q27074458	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	4-Benzo[4,5]furo[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid (benzo[1,3]-dioxol-5-ylmethyl)-amide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	4-Benzo[4,5]furo[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid (benzo[1,3]dioxol-5-ylmethyl)-amide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	4-Benzo[4,5]furo[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid(benzo[1,3]dioxol-5-ylmethyl)-amide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	4-Benzo[4.5]furo[3.2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid (benzo[1.3]dioxol-5-ylmethyl)-amide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzoxolo[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamide	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-(1)BENZOFURO(3,2-D)PYRIMIDIN-4-YLPIPERAZINE-1-CARBOTHIOAMIDE	PC_11282283
C23H21N5O3S	447.5	S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N	N-[(1,3-dioxaindan-5-yl)methyl]-4-{8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl}piperazine-1-carbothioamide	PC_11282283
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	IC-87114	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	371242-69-2	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	IC87114	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	IC 87114	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	2-[(6-AMINO-9H-PURIN-9-YL)METHYL]-5-METHYL-3-(2-METHYLPHENYL)-4(3H)-QUINAZOLINONE	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	9HC746B1KF	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	CHEMBL1213082	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	CHEBI:90686	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	D-030	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	2-[(6-Amino-9h-Purin-9-Yl)methyl]-5-Methyl-3-(2-Methylphenyl)quinazolin-4(3h)-One	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	4(3H)-Quinazolinone, 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-(2-methylphenyl)-	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	BiomolKI2_000002	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	UNII-9HC746B1KF	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	MLS006011148	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	SCHEMBL360745	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	GTPL9376	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	DTXSID00190617	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	EX-A326	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	2x38	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	BCPP000208	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	HMS3244E05	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	HMS3244E06	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	HMS3244F05	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	HMS3750G19	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	BCP01922	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	ZINC3841590	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	BDBM50323726	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	IC87114,PIK-293	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	MFCD09970845	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	s1268	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	AKOS016366988	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	BCP9000770	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	CS-0184	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	SB10967	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	NCGC00168114-01	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	NCGC00168114-03	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	NCGC00168114-09	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	AC-32795	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	AS-16206	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	BCB04_000224	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	HY-10110	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	SMR004702923	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	FT-0733117	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	A19400	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	242I692	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	J-505251	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	BRD-K75430629-001-01-3	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	Q27162645	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	2-(6-Aminopurin-9-ylmethyl)-5-methyl-3-o-tolyl-3H-quinazolin-4-one	PC_9908783
C22H19N7O	397.4	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N	GNWHRHGTIBRNSM-UHFFFAOYSA-N	IC8	PC_9908783
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	GSK1059615	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	958852-01-2	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	GSK-1059615	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	GSK 1059615	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	(Z)-5-((4-(pyridin-4-yl)quinolin-6-yl)methylene)thiazolidine-2,4-dione	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	GSK-615	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	(5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	GSK615	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	GSK 1059615 sodium salt hydrate	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	07YMO87363	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	5-{[4-(pyridin-4-yl)quinolin-6-yl]methylene}-1,3-thiazolidine-2,4-dione	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	UNII-07YMO87363	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	GTPL9826	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	SCHEMBL1805557	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	SCHEMBL1805561	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	CHEMBL3544966	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	CHEBI:71955	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	DTXSID00242004	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	EX-A2223	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	NSC801012	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	s1360	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	ZINC43176569	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	AKOS024457937	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	BCP9000732	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	CCG-267842	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	CS-0187	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	DB11962	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	NSC-801012	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	NCGC00346509-02	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	AC-32797	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	HY-12036	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	SW219415-1	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	A25166	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	A858796	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	BRD-K06750613-001-01-6	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	Q27139828	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	Q27236330	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	5-[(Z)-[4-(4-Pyridyl)-6-quinolyl]methylene]thiazolidine-2,4-dione	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	(5Z)-5-{[4-(4-pyridinyl)-6-quinolinyl]methylidene}-1,3-thiazolidine-2,4-dione	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	2,4-THIAZOLIDINEDIONE, 5-((4-(4-PYRIDINYL)-6-QUINOLINYL)METHYLENE)-, (5Z)-	PC_23582824
C18H11N3O2S	333.4	O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1	C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione;GSK1059615	PC_23582824
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	1349796-36-6	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	XL765	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	1123889-87-1	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	PI3K-IN-1	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	SAR245409 (XL765)	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	XL 765	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	XL-147 derivative 1	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methylbenzamide	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	N-(4-(N-(3-((3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-3-methoxy-4-methylbenzamide	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	CHEBI:71958	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	Exelixis pI3K inhibitor	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	N-[4-[[[3-[(3,5-dimethoxyphenyl)amino]-2-quinoxalinyl]amino]sulfonyl]phenyl]-3-methoxy-4-methyl-benzamide	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	CS-0230	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	MLS006011009	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	N-[2-[(3,5-Dimethoxyphenyl)amino]quinoxalin-3-yl]-4-[(4-methyl-3-methoxyphenyl)carbonyl]aminophenylsulfonamide	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	GTPL7964	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	SCHEMBL8739843	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	CHEMBL3349370	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	EX-A234	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	EX-A278	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	HMS3295O01	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	HMS3654D20	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	BCP02276	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	BCP32612	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	MFCD18252649	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NSC755808	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NSC768100	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NSC800992	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	s1523	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	ZINC70471842	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	AKOS025401936	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	CCG-270195	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NSC-755808	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NSC-768100	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NSC-800992	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	Voxtalisib (SAR245409, XL765)	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NCGC00346541-01	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	NCGC00346541-08	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	AC-27422	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	AC-33163	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	DA-45835	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	HY-12068	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	LS-15306	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	SMR004702807	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	FT-0753985	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	FT-0761386	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	SW218114-2	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	A25640	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	A887772	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	J-006627	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	J-523311	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	BRD-K75308783-001-01-3	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	Q27089152	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	N-[4-({[3-(3,5-Dimethoxyanilino)-2-quinoxalinyl]amino}sulfonyl)phenyl]-3-methoxy-4-methylbenzamide	PC_49867926
C31H29N5O6S	599.7	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N	N-[4-[[[3-[(3,5-Dimethoxyphenyl)amino]-2-quinoxalinyl]amino]sulfonyl]phenyl]-3-methoxy-4-methylbenzamide	PC_49867926
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	JNJ-38877605	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	943540-75-8	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	JNJ38877605	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	JNJ 38877605	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-(difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	15UDG410PN	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]-triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	1072116-03-0	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	Quinoline, 6-(difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)-	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	UNII-15UDG410PN	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	MLS006010960	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	SCHEMBL182199	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	CHEMBL2133806	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	CHEBI:91417	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	DTXSID20677253	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	BDBM163243	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	HMS3244G09	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	HMS3244G10	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	HMS3244H09	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	HMS3295K11	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	HMS3654M04	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	HMS3750I11	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	BCP01812	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	EX-A2081	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	NSC759095	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	NSC800776	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	s1114	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	ZINC43170515	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	AKOS015896605	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	BCP9000804	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	CCG-264826	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	DB13113	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	NSC-759095	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	NSC-800776	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	SB16606	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	NCGC00263189-01	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	NCGC00263189-02	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	NCGC00263189-06	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	AC-27418	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	AS-16207	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	BJ165317	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	HY-50683	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	SMR004702764	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	DB-000659	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	FT-0737555	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	SW220206-1	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	A19401	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	C77250	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	540D758	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	JNJ-38877605,JNJ38877605	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	J-518058	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	BRD-K02123250-001-01-8	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	Q27163270	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	US9062045, Comparator No. 1 (JNJ-38877605)	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-(Difluoro-[6-(1methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methyl)-quinoline	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-quinoline	PC_46911863
C19H13F2N7	377.3	Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N	6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]-triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline	PC_46911863
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Brivanib	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	649735-46-6	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BMS-540215	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BMS 540215	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Brivanib [USAN]	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Brivanib (BMS-540215)	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BMS540215	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	CHEMBL377300	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	DDU33B674I	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(2R)-1-[4-[(4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY]-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL]OXYPROPAN-2-OL	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(R)-1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL)OXY)PROPAN-2-OL	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Brivanib (USAN)	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(R)-1-(4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yloxy)propan-2-ol	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-2-propanol	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	2-Propanol, 1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-, (2R)-	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	UNII-DDU33B674I	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BRIVANIB [MI]	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BRIVANIB [WHO-DD]	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Brivanib,BMS-540215	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Brivanib (BMS540215)	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	MLS006011288	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Brivanib - BMS-540215	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	GTPL5671	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	SCHEMBL1227589	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	CHEBI:94562	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	DTXSID60215294	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	EX-A011	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	CHEBI:167686	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BCPP000317	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BDBM50184807	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	MFCD13194684	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	NSC799368	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	s1084	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	ZINC13684256	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	AKOS015920386	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	AKOS015949459	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BMS 540215;Unii-ddu33B674i	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	AC-5252	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BCP9000449	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	CCG-268296	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	CS-0148	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	DB11958	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	NSC-799368	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	NCGC00263160-01	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	AS-16273	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	HY-10337	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	SMR004703038	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	SW219896-1	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	EC-000.2327	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	A24076	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	D09589	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	735B466	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	J-500907	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	BRD-K28428262-001-01-7	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	Q27075503	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(2R)-1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4 ]triazin-6-yloxy]propanol	PC_11234052
C19H19FN4O3	370.4	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	WCWUXEGQKLTGDX-LLVKDONJSA-N	(r)-1-(4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-5- methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan- 2-ol	PC_11234052
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SU11274	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	658084-23-2	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	Met Kinase Inhibitor	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SU-11274	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	PKI-SU11274	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SU 11274	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SU-MI-2	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	CHEMBL261641	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3Z)-N-(3-Chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3Z)-N-(3-Chlorophenyl)-3-((3,5-dimethyl-4-((4-methylpiperazin-1-yl)carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(Z)-N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3Z)-N-(3-Chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1H-pyrrol-2-yl]methylene]-2,3-dihydro-N-methyl-2-oxo-1H-indole-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3z)-N-(3-Chlorophenyl)-3-({3,5-Dimethyl-4-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-2-Yl}methylene)-N-Methyl-2-Oxoindoline-5-Sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	Met Kinase	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	MFCD08276928	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SCHEMBL93711	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SCHEMBL93713	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	MLS006010961	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	GTPL5057	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	DTXSID20429552	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	EX-A183	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	CHEBI:190974	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	BCPP000061	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	HMS3229G21	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	K00593a	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	BDBM50341636	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	NSC747693	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	s1080	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	ZINC16052811	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	AKOS015994564	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	CCG-206768	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	ES-0032	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	EX-5962	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	NSC-747693	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	NCGC00165902-01	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	NCGC00165902-04	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-N-methyl-2-oxo-indoline-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(Z)-N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(1-methylpiperazine-4-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	AC-28396	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SMR004702765	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SU-011274	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SU11274 (PKI-SU11274)	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	SU 11274, >=98% (HPLC), powder	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	EC-000.2357	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	A15738	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	Met Kinase Inhibitor - CAS 658084-23-2	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	J-522999	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	BRD-K02965346-001-01-8	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	BRD-K02965346-001-07-5	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	Q27088888	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	(3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	1h-indole-5-sulfonamide, n-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2,3-dihydro-n-methyl-2-oxo-, (3z)-	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(1-methylpiperazine-4-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide	PC_9549297
C28H30ClN5O4S	568.1	Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	FPYJSJDOHRDAMT-KQWNVCNZSA-N	N-(3-Chlorophenyl)-n-methyl-3-[[3,5-dmethyl-4-[(4-methylpperazn-1-yl)carbonyl]-1h-pyrrol-2-yl]methylene]-2-oxo-2,3-dhydro-1h-ndole-5 -sulfonamde	PC_9549297
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	905298-84-2	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	BMS-4	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	CHEMBL2070615	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	compound 31 [PMID: 22902653]	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	1-ethyl-3-[5-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]urea	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	LIMK1 inhibitor BMS4	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	BMS4	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	GTPL8117	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	SCHEMBL5999941	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	BDBM50390791	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	ZINC84707544	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	NCGC00372509-02	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	NCGC00372509-03	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	CID 46192505	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	E98994	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	Q27076560	PC_46192505
C23H23N7O2S	461.5	CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1	CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C	WUCYRTXFXRZKSV-UHFFFAOYSA-N	1-ethyl-3-(5-(6-(4-methoxy-2,6-dimethylphenyl)-2-(pyrazin-2-yl)pyrimidin-4-yl)thiazol-2-yl)urea	PC_46192505
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	kb NB 142-70	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	1233533-04-4	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	kb-NB142-70	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	3,4-Dihydro-9-hydroxy-[1]benzothieno[2,3-f]-1,4-thiazepin-5(2H)-one	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	3,4-Dihydro-9-hydroxy-[1]benzothieno-[2,3-f]-1,4-thiazepin-5(2H)-one	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	CHEMBL1672571	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	4-Hydroxy-8,14-dithia-11-azatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraen-10-one	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	9-hydroxy-3,4-dihydrobenzo[4,5]thieno[2,3-f][1,4]thiazepin-5(2H)-one	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	GTPL9369	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	SCHEMBL9920595	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	DTXSID10669824	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	HMS3740G15	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	BCP06729	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	EX-A2497	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	BDBM50336960	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	MFCD18086915	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	ZINC66097229	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	AKOS024457899	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	CS-1091	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	NCGC00241412-01	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	NCGC00241412-08	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	AS-16549	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	HY-15528	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	kb-NB142-70, >=97% (HPLC)	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	A899022	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	J-004926	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	9-Hydroxy-3,4-dihydro-2H-[1]-benzothiolo[2,3-f][1,4]thiazepin-5-one	PC_45258277
C11H9NO2S2	251.3	O=C1NCCSc2c1sc1ccc(O)cc21	C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O	DHUAGGSHTKPOHU-UHFFFAOYSA-N	9-Hydroxy-3,4-dihydro[1]benzothieno[2,3-f][1,4]thiazepin-5(2H)-one	PC_45258277
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	PF-543	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	1415562-82-1	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	PF 543	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	PF543	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	CHEMBL3134157	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	{(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	GTPL6623	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	SCHEMBL17786131	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	DTXSID90735359	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	CHEBI:131144	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	BCP07072	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	EX-A7103	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	BDBM50041978	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	ZINC94568743	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	CCG-269412	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	CS-0869	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	compound 22a [PMID: 22397330]	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	NCGC00346972-04	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	2-Pyrrolidinemethanol, 1-[[4-[[3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)-	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	AS-77597	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	HY-15425	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	S7177	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	SW218168-2	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	BRD-K79877282-001-01-9	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	Q27088335	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	(2R)-1-[[4-[[3-Methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-2-pyrrolidinemethanol	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	(R)-(1-(4-((3-methyl-5-((phenylsulfonyl)methyl)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	[(2R)-1-[(4-{3-[(benzenesulfonyl)methyl]-5-methylphenoxymethyl}phenyl)methyl]pyrrolidin-2-yl]methanol	PC_66577038
C27H31NO4S	465.6	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3CO)cc2)c1	CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4	NPUXORBZRBIOMQ-RUZDIDTESA-N	[(2R)-1-{[4-({3-[(Benzenesulfonyl)methyl]-5-methylphenoxy}methyl)phenyl]methyl}pyrrolidin-2-yl]methanol	PC_66577038
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	142557-61-7	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	a-484954	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	A 484954	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	CHEMBL1977874	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	7-AMino-1-cyclopropyl-3-ethyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyriMidine-6-carboxaMide	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	7-Amino-1-cyclopropyl-3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	7-amino-1-cyclopropyl-3-ethyl-1,2,3,4-tetrahydro-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	Kinome_3822	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	DTXSID70566729	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	BCP28798	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	EX-A2445	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	BDBM50053584	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	ZINC63539695	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	AKOS024458184	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	SB12876	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	NCGC00370744-05	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	AC-36074	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	AS-16675	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	HY-110096	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	CS-0032949	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	FT-0661699	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	A-484954;A484954	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	eEF2K Inhibitor, A-484954 - CAS 142557-61-7	PC_14998470
C13H15N5O3	289.29	CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O	CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N	HWODCHXORCTEGU-UHFFFAOYSA-N	7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxamide	PC_14998470
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Pemetrexed	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	137281-23-3	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	LY231514	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Pemetrexed disodium	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Alimta	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	CHEBI:63616	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	LY-231514	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	NSC-698037	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	04Q9AIZ7NO	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	(S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Pemetrexed (INN)	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	LY 231514	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	LY-2315	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMETREXED [INN]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Alimta (TN)	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	(S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo-[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	(S)-2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	LYA	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Pemetrexed [INN:BAN]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	UNII-04Q9AIZ7NO	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	HSDB 7316	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	1juj	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Pemetrexed (TN)	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-(4-[2-(2-amino-4,7-Dihydro-4-Oxo-1H-Pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl)-L-Glutamic Acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Pemetrexed- Bio-X	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMFEXY	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMETREXED [MI]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Alimta (TN) (Lilly)	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMETREXED [HSDB]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMETREXED [VANDF]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	SCHEMBL7968	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMETREXED [WHO-DD]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	US9422297, Pemetrexed	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMETREXED [EMA EPAR]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	CHEMBL225072	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	DTXSID2048329	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	PEMETREXED [ORANGE BOOK]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Premetrexed [Common mis-spelling]	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	ZINC1540998	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	BDBM50027656	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	NSC698037	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	s5971	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	AKOS015896253	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	AKOS016842348	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	AC-1701	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	CS-1297	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	DB00642	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	NCGC00166414-11	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	NCGC00167517-01	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	NCGC00242485-01	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	AS-30680	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	BP164240	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	HY-10820	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-[4-[2(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	DB-024764	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	P2288	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	D07472	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	AB01273937-01	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	EN300-7396246	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	281P233	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	A807228	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	Q415220	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	J-502393	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	L-Glutamic acid,3-d]pyrimidin-5-yl]ethyl]benzoyl]-	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	(2S)-2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	1006872-74-7	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-(P-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMATE	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-[4-[2(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-[4-[2-(2-amino-3,4-dihydro-4-oxo-7h-pyrrolo[2,3-d]pyrimi-din-5-yl)ethyl]benzoyl]l-glutamic acid	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid disodium salt;Pemetrexed	PC_135410875
C20H21N5O6	427.4	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N	N-[4-[2-[2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]glutamic acid	PC_135410875
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Ara-G	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Guanine, 9-beta-D-xylofuranosyl-	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC19994	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	26578-09-6	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	9-.beta.-D-ribofuranosylguanine	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Guaninribosid	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Guanine, 9.beta.-d-ribofuranosyl-	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	.beta.-D-Ribofuranoside, guanine-9	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC-19994	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC-76352	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Alpha-Ara-G	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-AMINO-9-[(2R,3S,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1H-PURIN-6-ONE	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	9-(BETA-D-ARABINOFURANOSYL)-GUANINE	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Guanine, 9-.beta.-D-xylofuranosyl-	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Oprea1_162646	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2(3H)-Imino-9-.beta.-D-ribofuranosyl-9H-purin-6(1H)-one	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	CHEMBL278434	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	SCHEMBL5550180	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	SCHEMBL14881201	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	9-beta-d-arabinofuranosyl guanine	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	CHEBI:181418	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	HMS3651J03	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	9-(.beta.-D-Xylofuranosyl)guanine	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC76352	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	Guanine, 9-.beta.-D-ribofuranosyl-	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC107181	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC115607	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	STK367994	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	STL535810	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	AKOS005179013	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	AKOS037497080	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC-107181	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NSC-115607	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	SB74097	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	AC-10520	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	NCI60_001659	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	4-(4-METHOXYPHENOXY)BENZALDEHYDE97	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	DB-046986	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	DB-049337	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	FT-0626830	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	FT-0638620	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	FT-0639498	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	FT-0669075	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	EN300-182710	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-amino-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-imino-9-pentofuranosyl-3,9-dihydro-2H-purin-6-ol	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	6H-Purin-6-one,7-dihydro-9-.beta.-D-xylofuranosyl-	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	6H-Purin-6-one,9-dihydro-9-.beta.-D-ribofuranosyl-	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-Amino-1,9-dihydro-9-.beta.-D-ribofuranosyl-6H-purin-6-one	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	69D36976-58C5-4A97-9295-BC2A5B056BAA	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	WLN: T56 BN DN FVM INJ HZ B1- BT5OTJ CQ DQ EQ -D,XYLO	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one	PC_135402034
C10H13N5O5	283.24	Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	NYHBQMYGNKIUIF-UHFFFAOYSA-N	2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one	PC_135402034
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	CPI-613	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	95809-78-2	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-bis(benzylthio)octanoic acid	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	Devimistat	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	CPI 613	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-Bis(benzylsulfanyl)octanoic acid	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	CPI613	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	MLS006010202	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	SCHEMBL1062218	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	MFCD22420826	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	E76113IR49	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-Bis[(phenylmethyl)thio]octanoic acid	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	Octanoic acid, 6,8-bis((phenylmethyl)thio)-	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	Octanoic acid, 6,8-bis[(phenylMethyl)thio]-	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	UNII-E76113IR49	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	DEVIMISTAT [INN]	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	DEVIMISTAT [WHO-DD]	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-bis(benzylthio)octanoicacid	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	CHEMBL3186849	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	DTXSID70914807	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	HMS3656L06	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	HMS3873F13	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-Bis(benzylthio)-octanoic acid	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	BCP04663	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	EX-A2043	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	NSC766888	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	s2776	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	AKOS025142095	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	BCP9000552	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	CCG-268505	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	CS-0961	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	DB12109	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	NSC-766888	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	NCGC00344764-01	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	AC-32929	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	AS-16613	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	HY-15453	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	SMR004701300	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	SY234319	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	BCP0726000030	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-BIS-BENZYLSULFANYL-OCTANOIC ACID	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	B5368	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	SW220297-1	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	(+/-)-6,8-BIS(BENZYLTHIO)OCTANOIC ACID	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-BIS(BENZYLTHIO)OCTANOIC ACID, (+/-)-	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	J-518174	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	6,8-Bis(benzylthio)-octanoic acid, >=98% (HPLC)	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	Q27276958	PC_24770514
C22H28O2S2	388.6	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1	C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2	ZYRLHJIMTROTBO-UHFFFAOYSA-N	RAC-(6R)-6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID	PC_24770514
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	kobe2602	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	454453-49-7	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	kobe-2602	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	2-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)hydrazinecarbothioamide	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}-1-(4-fluorophenyl)thiourea	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	2-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	Kobe 2602	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	SCHEMBL15443887	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	EX-A369	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	BCP09425	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	MFCD04109605	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	s6527	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	ZINC12339778	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(4-fluorophenyl)thiourea	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	AKOS025405250	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	AC-35225	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	AS-16791	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	HY-15717	PC_3827738
C14H9F4N5O4S	419.31	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1	C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F	NNPBSITXCGPXJC-UHFFFAOYSA-N	2-(2,6-dinitro-4-(trifluoromethyl)phenyl)-n-(4-fluorophenyl)hydrazine-1-carbothioamide	PC_3827738
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	Fingolimod	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	162359-55-9	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-Amino-2-(4-octylphenethyl)propane-1,3-diol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	Fty-720	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	Fingolimod [INN]	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	Gilenya (TN)	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	3QN8BYN5QF	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	CHEMBL314854	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	CHEBI:63115	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	Fingolimod (INN)	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FTY-720A	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	UNII-3QN8BYN5QF	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	fingolimodum	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FingoliMod Base	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	Fingolimod- Bio-X	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FINGOLIMOD [MI]	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FINGOLIMOD [VANDF]	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FINGOLIMOD [MART.]	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	SCHEMBL7445	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FINGOLIMOD [WHO-DD]	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-(4-octylphenylethyl)-2-aminopropane-1,3-diol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	GTPL2407	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FINGOLIMOD [ORANGE BOOK]	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	DTXSID40167363	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	HMS3743O13	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	AMY22173	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	BCP05969	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	ZINC1542002	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	BDBM50158336	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	NSC755643	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	s5950	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	STL445699	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	AKOS015999594	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	DB05286	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	DB08868	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	NSC-755643	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	NCGC00188399-01	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	NCGC00188399-03	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	NCGC00188399-04	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	NCGC00188399-06	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	NCGC00188399-16	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	AC-25899	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	AS-68987	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	BF164460	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	HY-11063	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	DB-064455	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	FT-0660847	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-(4-octylphenethyl)-2-aminopropane-1,3-diol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	D70458	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	EN300-18802383	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	Q425137	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-amino-2-hydroxymethyl-4-(4-(octyl)phenyl)butanol	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	BRD-K88025533-003-01-7	PC_107970
C19H33NO2	307.5	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N	2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol	PC_107970
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	218137-86-1	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	C75	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	C-75	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	4-Methylene-2-octyl-5-oxo-tetrahydro-furan-3-carboxylic acid	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	8E9A8CTX2H	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	CHEMBL477382	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	(+/-)-C75	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	MFCD03426157	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	FAS inhibitor C75	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	UNII-8E9A8CTX2H	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	MLS006010729	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	SCHEMBL360509	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	CHEBI:95108	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	CHEBI:191402	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	DTXSID401189534	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	C75;C 75;FAS inhibitor C75	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	BCP09082	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	EX-A3806	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	BDBM50525849	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	NSC764756	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	AKOS015911704	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	C75, >=98% (HPLC), powder	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	CS-3562	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	NSC-764756	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	NCGC00165772-01	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	NCGC00165772-02	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	HY-12364	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	SMR004701691	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	C-75;C 75	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	DB-014727	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	FT-0675031	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	FT-0748416	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	A911804	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	A925067	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	Q27166884	PC_4248455
C14H22O4	254.32	C=C1C(=O)OC(CCCCCCCC)C1C(=O)O	CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O	VCWLZDVWHQVAJU-UHFFFAOYSA-N	4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid	PC_4248455
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	RU-SKI 43	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	1043797-53-0	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	CHEMBL3133036	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	2-(2-methylbutylamino)-1-[4-[(3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	2-((2-Methylbutyl)amino)-1-(4-((m-tolyloxy)methyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanone	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	RU-SKI-43	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	Hhat Inhibitor	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	SCHEMBL21764164	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	BCP11363	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	BDBM50505254	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	CS-3228	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	NCGC00379228-03	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	NCGC00379228-06	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	2-((2-Methylbutyl)amino)-1-(4-((m-tolyloxy)methyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	HY-18366	PC_46006640
C22H30N2O2S	386.6	CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1	CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2	AEENEMOEBJOKGN-UHFFFAOYSA-N	A906867	PC_46006640
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	944808-88-2	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	CAY10566	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	2-(6-(4-(2-chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	3-[4-(2-chloro-5-fluorophenoxy)-1-piperidinyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-pyridazine	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	CAY 10566	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	CHEMBL226646	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	2-[6-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3,4-oxadiazole	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	3-[4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridazine	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	SCHEMBL2632280	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	DTXSID80587445	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	BDBM50371060	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	MFCD11976899	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	ZINC27647301	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	AKOS027282702	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	CS-8077	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	AS-74348	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	HY-15823	PC_16732433
C18H17ClFN5O2	389.8	Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1	CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl	WFOFPVXMPTVOTJ-UHFFFAOYSA-N	A16936	PC_16732433
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	1062368-24-4	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	LDN193189	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	LDN-193189	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	LDN 193189	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	4-[6-(4-Piperazin-1-Ylphenyl)pyrazolo[1,5-A]pyrimidin-3-Yl]quinoline	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	DM-3189	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	W69H5YQU9O	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	CHEMBL513147	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	LDN193189 (GMP)	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	Quinoline, 4-(6-(4-(1-piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	LDN 193189 hydrochloride	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	UNII-W69H5YQU9O	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	4-{6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	DM 3189 hydrochloride	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	LDN193189 free base	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	SCHEMBL456393	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	CHEBI:91387	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	DTXSID30147553	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	EX-A424	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	HMS3743E21	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	BCP01907	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	BDBM50262079	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	HY-12071G	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	MFCD17169988	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	s2618	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	ZINC40880920	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	AKOS024464854	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	BCP9000845	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	CS-0669	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	EX-8677	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	SB19315	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	NCGC00249389-01	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	NCGC00249389-21	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	AC-31395	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	AS-73735	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	HY-12071	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	CS-0615622	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	FT-0753749	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	A25220	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	cas:1062368-24-4;LDN193189	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	J-514252	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	BRD-K04853698-003-01-4	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	Q27163247	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	LDN 193189; LDN-193189; DM-3189; DM 3189	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	4-[6-(4-Piperazin-1-yl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-yl]-quinoline hydrochloride	PC_25195294
C25H22N6	406.5	c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3	CDOVNWNANFFLFJ-UHFFFAOYSA-N	DM3189;6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine	PC_25195294
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	909910-43-6	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A 83-01	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A-83-01	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A83-01	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	Stemolecule A83-01	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	X3ZNM7QJ2Q	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	3-(6-methylpyridin-2-yl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A 83-01 (GMP)	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	ALK5 Inhibitor IV	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A8301	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A-8301	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	3-(6-methyl-2-pyridinyl)-n-phenyl-4-(4-quinolinyl)-1h-pyrazole-1-carbothioamide	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	1H-Pyrazole-1-carbothioamide, 3-(6-methyl-2-pyridinyl)-N-phenyl-4-(4-quinolinyl)-	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	TGF-beta inhibitor A-83-01	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	C25H19N5S	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	UNII-X3ZNM7QJ2Q	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	1H-Pyrazole-1-carbothioamide,3-(6-methyl-2-pyridinyl)-N-phenyl-4-(4-quinolinyl)-	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	SCHEMBL142081	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	CHEMBL1170377	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	DTXSID60585065	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	EX-A482	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	BCP05991	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	HY-10432G	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	MFCD08705403	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	s7692	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	ZINC13829336	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	AKOS024457346	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	CS-1437	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	NCGC00165721-01	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	NCGC00165721-02	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	NCGC00165721-16	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	AC-31398	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	AS-16512	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	BA162484	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	DA-35362	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	HY-10432	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A3324	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	CS-0622769	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	FT-0746646	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	EC-000.2376	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	J-504722	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	Q26998219	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	A 83-01 is known as an ALK5, ALK4, and ALK7 inhibitor.	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	3-(6-Methyl-2-pyridinyl)-N-phenyl-4 -(4-quinolinyl)-1H-pyrazole-1-carbothioamide	PC_16218924
C25H19N5S	421.5	Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1	CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5	HIJMSZGHKQPPJS-UHFFFAOYSA-N	3-(6-methylpyridin-2-yl)-N-phenyl-4-quinolin-4-yl-1H-pyrazole-1-carbothioamide	PC_16218924
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	4-[3-(piperidin-4-yl)-1H-pyrazol-5-yl]pyridine dihydrochloride	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	2136571-30-5	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine;dihydrochloride	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	ETP 45835 dihydrochloride	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	4-(3-(piperidin-4-yl)-1H-pyrazol-5-yl)pyridine dihydrochloride	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	SCHEMBL19410715	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	ETP-45835	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	AKOS024458528	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	EN300-104327	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	Z2238934632	PC_71755761
C13H18Cl2N4	301.21	Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1	C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl	ASYCTHXAPLLLSZ-UHFFFAOYSA-N	4-[5-(4-Piperidinyl)-1H-pyrazol-3-yl]pyridine dihydrochloride	PC_71755761
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	CD532	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	1-[4-[[4-[(5-Cyclopentyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl]amino]phenyl]-3-[3-(Trifluoromethyl)phenyl]urea	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	1639009-81-6	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	1-[4-({4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	4j8m	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	CHEMBL4756194	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	SCHEMBL16247181	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	CHEBI:83432	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	CD 532	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	CD-532	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	HY-112273	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	CS-0044664	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	EN300-199672	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	EN300-28336731	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	Q27156822	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	Z1939360446	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	(E)-1-(4-((4-((5-cyclopentyl-1H-pyrazol-3-yl)imino)-1,4-dihydropyrimidin-2-yl)amino)phenyl)-3-(3-(trifluoromethyl)phenyl)urea	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	1-(4-{[(4E)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)imino]-1,4-dihydropyrimidin-2-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	1-[4-({4-[(5-cyclopentyl-1H-pyrazol-3-yl)imino]-1,4-dihydropyrimidin-2-yl}amino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea	PC_77232197
C26H25F3N8O	522.5	O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1	C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F	GBMIFBVLJSCVJT-UHFFFAOYSA-N	CJ5	PC_77232197
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	292632-98-5	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L-685458	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	l-685,458	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L685458	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	CHEMBL302004	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L-Phenylalaninamide, N-[(2R,4R,5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]-L-leucyl-	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	CHEBI:74921	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	tert-butyl ((2S,3R,5R)-6-(((S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)carbamate	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L 458	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L-68458	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	tert-butyl ((2S,3R,5R)-6-(((S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)carbamate.	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	FTO	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L 685458	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L 685,458	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	SCHEMBL3197800	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	EX-A2420	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	tert-butyl N-[(2S,3R,5R)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	BDBM50100434	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	ZINC26179223	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	AKOS024457203	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	CS-5258	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	NCGC00165962-01	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	NCGC00165962-02	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	1-benzyl-4-(1-(1-carbamoyl-2-phenylethylcarbamoyl-3-methylbutylcarbamoyl)-2-hydroxy-5-phenylpentyl)carbamic acid tert-butyl ester	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	AC-35192	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	AS-75177	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	HY-19369	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L-685,458, >96% (HPLC), solid	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	C74501	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	Q27145011	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	(5S)-[tert-butoxycarbonylamino-6-phenyl-(4R)-hydroxy-(2R)-benzylhexanoyl]-L-Leu-L-Phe-NH2	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	(1S,2R,4R)-{1-benzyl-4-[1-(1S)-carbamoyl-(2-phenylethylcarbamoyl)-(1S)-3-methylbutylcarbamoyl]-2-hydroxy-5-phenylpentyl}carbamic acid tert-butyl ester	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	(5S)-(tert-Butoxycarbonylamino)-6-phenyl-(4R)-hydroxy-(2R)-benzylhexanoyl)-L-leucy-L-phenylalaninamide	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	{(1S)-benzyl-(4R)-[1-((1S)-carbamoyl-2-phenyl-ethylcarbamoyl)-(1S)-3-methyl-butyl-carbamoyl]-(2R)-hydroxy-5-phenyl-pentyl} carbamic acid tert-butyl ester	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	{(1S,2R)-1-Benzyl-4-[(R)-1-((S)-(S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	{1(S)-benzyl-4(R)-[1-(1(S)-carbamoyl-2-phenylethylcarbamoyl)-1(S)-3-methyl-butylcarbamoyl]-2(R)-hydroxy-5-phenylpentyl}carbamic acid tert-butyl ester	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	{1-Benzyl-4-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	L-Phenylalaninamide, N-(5-(((1,1-dimethylethoxy)carbonyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4R*,5S*))-	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	N-{(2R,4R,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	t-butyl (2s,3r,5r)-6-((s)-1-((s)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-ylcarbamate	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	tert-butyl (2S,3R,5R)-5-(((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-3-hydroxy-1,6-diphenylhexan-2-ylcarbamate	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	tert-butyl N-[(1S,2R,4R)-5-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1,4-dibenzyl-2-hydroxy-5-oxo-pentyl]carbamate	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	tert-butyl N-[(2S,3R,5R)-5-benzyl-5-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate	PC_5479543
C39H52N4O6	672.9	CC(C)CC(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	tert-butyl(2S,3R,5R)-6-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-ylcarbamate	PC_5479543
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	lbw242	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	867324-12-7	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	NG5DD6UA5D	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	CHEMBL1950720	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	LBW-242	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	(2S)-N-((1S)-1-Cyclohexyl-2-((3aR,7aS)-octahydro-6-(2-phenylethyl)-1H-pyrrolo(2,3-C)pyridin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	(S)-N-((S)-1-cyclohexyl-2-oxo-2-((3aR,7aS)-6-phenethyloctahydro-1H-pyrrolo[2,3-c]pyridin-1-yl)ethyl)-2-(methylamino)propanamide	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	Propanamide, N-((1S)-1-cyclohexyl-2-((3aR,7aS)-octahydro-6-(2-phenylethyl)-1H-pyrrolo(2,3-C)pyridin-1-yl)-2-oxoethyl)-2-(methylamino)-, (2S)-	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	(2S)-N-[(1S)-1-Cyclohexyl-2-[(3aR,7aS)-octahydro-6-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	UNII-NG5DD6UA5D	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	SCHEMBL2731929	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	LBW 242 [WHO-DD]	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	DTXSID701101698	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	BDBM50364485	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	HY-15519	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	CS-0006862	PC_11503417
C27H42N4O2	454.6	CNC(C)C(=O)NC(C(=O)N1CCC2CCN(CCc3ccccc3)CC21)C1CCCCC1	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	(2S)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide	PC_11503417