2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate

C312H291Cl18N65O35S9 — CID 163440930

IUPAC2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC(C(=O)O)C6)nc45)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6C[C@@H](O)CC6=O)nc45)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC#N)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC#N)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2C)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)c(Cl)cc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)cc(C)c1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)OCc6oc(=O)oc6C)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C38H35Cl2N7O7S.2C36H33Cl2N7O4S.C35H33Cl2N7O4S.C34H32Cl2N8O2S.C34H34ClN7O4S.C33H30Cl3N7O4S.C33H30Cl2N8O2S.C33H31Cl2N7O4S/c1-20-28(54-38(50)53-20)19-52-32(49)18-42-17-31-47-35-29(55-31)13-14-43-36(35)45-27-8-4-6-24(34(27)40)23-5-3-7-25(33(23)39)26-11-9-21(37(46-26)51-2)15-41-16-22-10-12-30(48)44-22;1-49-35-20(15-44-18-36(19-44)12-10-28(47)43-36)8-9-25(41-35)24-6-2-4-22(31(24)37)23-5-3-7-26(32(23)38)40-34-33-27(11-13-39-34)50-29(42-33)17-45-16-21(46)14-30(45)48;1-49-34-20(14-45-18-36(19-45)12-10-28(46)43-36)8-9-25(41-34)24-6-2-4-22(30(24)37)23-5-3-7-26(31(23)38)40-33-32-27(11-13-39-33)50-29(42-32)17-44-15-21(16-44)35(47)48;1-19-13-25(41-34(48-2)23(19)16-44-17-35(18-44)11-9-27(45)43-35)22-7-3-5-20(30(22)36)21-6-4-8-24(31(21)37)40-33-32-26(10-12-39-33)49-28(42-32)14-38-15-29(46)47;1-19-15-26(43-34(46-2)24(19)17-39-16-20-9-10-28(45)41-20)23-7-3-5-21(30(23)35)22-6-4-8-25(31(22)36)42-33-32-27(11-13-40-33)47-29(44-32)18-38-14-12-37;1-19-22(5-3-6-23(19)25-11-9-20(34(41-25)46-2)15-36-16-21-10-12-28(43)39-21)24-7-4-8-26(31(24)35)40-33-32-27(13-14-38-33)47-29(42-32)17-37-18-30(44)45;1-47-33-17(13-37-14-18-8-9-25(44)40-18)12-22(34)30(43-33)21-6-2-4-19(28(21)35)20-5-3-7-23(29(20)36)41-32-31-24(10-11-39-32)48-26(42-31)15-38-16-27(45)46;1-45-33-19(16-38-17-20-9-11-27(44)40-20)8-10-24(42-33)23-6-2-4-21(29(23)34)22-5-3-7-25(30(22)35)41-32-31-26(12-14-39-32)46-28(43-31)18-37-15-13-36;1-46-33-18(14-36-15-19-9-11-26(43)39-19)8-10-23(41-33)22-6-2-4-20(29(22)34)21-5-3-7-24(30(21)35)40-32-31-25(12-13-38-32)47-27(42-31)16-37-17-28(44)45/h3-9,11,13-14,22,41-42H,10,12,15-19H2,1-2H3,(H,43,45)(H,44,48);2-9,11,13,21,46H,10,12,14-19H2,1H3,(H,39,40)(H,43,47);2-9,11,13,21H,10,12,14-19H2,1H3,(H,39,40)(H,43,46)(H,47,48);3-8,10,12-13,38H,9,11,14-18H2,1-2H3,(H,39,40)(H,43,45)(H,46,47);3-8,11,13,15,20,38-39H,9-10,14,16-18H2,1-2H3,(H,40,42)(H,41,45);3-9,11,13-14,21,36-37H,10,12,15-18H2,1-2H3,(H,38,40)(H,39,43)(H,44,45);2-7,10-12,18,37-38H,8-9,13-16H2,1H3,(H,39,41)(H,40,44)(H,45,46);2-8,10,12,14,20,37-38H,9,11,15-18H2,1H3,(H,39,41)(H,40,44);2-8,10,12-13,19,36-37H,9,11,14-17H2,1H3,(H,38,40)(H,39,43)(H,44,45)/t22-;21-;;;20-;21-;18-;20-;19-/m00..00000/s1
InChIKeyAYMQMKQHMKKESY-UXDJOZDFSA-N
MW6437.94 g/mol
LogP57.06
Rot. Bonds108

About 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate

2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate (PubChem CID 163440930) has the molecular formula C312H291Cl18N65O35S9 and a molecular weight of 6437.94 g/mol. Its IUPAC name is 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate.

Molecular Properties

Compound Name2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate
PubChem CID163440930
Molecular FormulaC312H291Cl18N65O35S9
Molecular Weight6437.94 g/mol
Exact Mass6424.49
IUPAC Name2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC(C(=O)O)C6)nc45)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6C[C@@H](O)CC6=O)nc45)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC#N)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC#N)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2C)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)c(Cl)cc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)cc(C)c1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)OCc6oc(=O)oc6C)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C38H35Cl2N7O7S.2C36H33Cl2N7O4S.C35H33Cl2N7O4S.C34H32Cl2N8O2S.C34H34ClN7O4S.C33H30Cl3N7O4S.C33H30Cl2N8O2S.C33H31Cl2N7O4S/c1-20-28(54-38(50)53-20)19-52-32(49)18-42-17-31-47-35-29(55-31)13-14-43-36(35)45-27-8-4-6-24(34(27)40)23-5-3-7-25(33(23)39)26-11-9-21(37(46-26)51-2)15-41-16-22-10-12-30(48)44-22;1-49-35-20(15-44-18-36(19-44)12-10-28(47)43-36)8-9-25(41-35)24-6-2-4-22(31(24)37)23-5-3-7-26(32(23)38)40-34-33-27(11-13-39-34)50-29(42-33)17-45-16-21(46)14-30(45)48;1-49-34-20(14-45-18-36(19-45)12-10-28(46)43-36)8-9-25(41-34)24-6-2-4-22(30(24)37)23-5-3-7-26(31(23)38)40-33-32-27(11-13-39-33)50-29(42-32)17-44-15-21(16-44)35(47)48;1-19-13-25(41-34(48-2)23(19)16-44-17-35(18-44)11-9-27(45)43-35)22-7-3-5-20(30(22)36)21-6-4-8-24(31(21)37)40-33-32-26(10-12-39-33)49-28(42-32)14-38-15-29(46)47;1-19-15-26(43-34(46-2)24(19)17-39-16-20-9-10-28(45)41-20)23-7-3-5-21(30(23)35)22-6-4-8-25(31(22)36)42-33-32-27(11-13-40-33)47-29(44-32)18-38-14-12-37;1-19-22(5-3-6-23(19)25-11-9-20(34(41-25)46-2)15-36-16-21-10-12-28(43)39-21)24-7-4-8-26(31(24)35)40-33-32-27(13-14-38-33)47-29(42-32)17-37-18-30(44)45;1-47-33-17(13-37-14-18-8-9-25(44)40-18)12-22(34)30(43-33)21-6-2-4-19(28(21)35)20-5-3-7-23(29(20)36)41-32-31-24(10-11-39-32)48-26(42-31)15-38-16-27(45)46;1-45-33-19(16-38-17-20-9-11-27(44)40-20)8-10-24(42-33)23-6-2-4-21(29(23)34)22-5-3-7-25(30(22)35)41-32-31-26(12-14-39-32)46-28(43-31)18-37-15-13-36;1-46-33-18(14-36-15-19-9-11-26(43)39-19)8-10-23(41-33)22-6-2-4-20(29(22)34)21-5-3-7-24(30(21)35)40-32-31-25(12-13-38-32)47-27(42-31)16-37-17-28(44)45/h3-9,11,13-14,22,41-42H,10,12,15-19H2,1-2H3,(H,43,45)(H,44,48);2-9,11,13,21,46H,10,12,14-19H2,1H3,(H,39,40)(H,43,47);2-9,11,13,21H,10,12,14-19H2,1H3,(H,39,40)(H,43,46)(H,47,48);3-8,10,12-13,38H,9,11,14-18H2,1-2H3,(H,39,40)(H,43,45)(H,46,47);3-8,11,13,15,20,38-39H,9-10,14,16-18H2,1-2H3,(H,40,42)(H,41,45);3-9,11,13-14,21,36-37H,10,12,15-18H2,1-2H3,(H,38,40)(H,39,43)(H,44,45);2-7,10-12,18,37-38H,8-9,13-16H2,1H3,(H,39,41)(H,40,44)(H,45,46);2-8,10,12,14,20,37-38H,9,11,15-18H2,1H3,(H,39,41)(H,40,44);2-8,10,12-13,19,36-37H,9,11,14-17H2,1H3,(H,38,40)(H,39,43)(H,44,45)/t22-;21-;;;20-;21-;18-;20-;19-/m00..00000/s1
InChIKeyAYMQMKQHMKKESY-UXDJOZDFSA-N
XLogP57.06
TPSA1314.89 Ų
H-Bond Donors37
H-Bond Acceptors94
Rotatable Bonds108
Heavy Atoms439
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006437.94
LogP ≤ 557.06
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1094

Analyze 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid
CID 146339433
(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
CID 146339697
(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-(difluoromethoxy)-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 167247883
2-[[4-[2-chloro-3-[2-chloro-3-[5-methoxy-6-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid
CID 146339610
1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 162476788
2-[[2-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]anilino]-3-fluoro-4-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 171815205
4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazin-2-one
CID 162476778
2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetaldehyde
CID 146339603
1-[[4-[2-chloro-3-[2-chloro-3-[5-[[[(2S)-5-hydroxypyrrolidin-2-yl]methylamino]methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidine-4-carboxylic acid
CID 166832260
4-[[4-[2-chloro-3-[2-chloro-3-[6-(fluoromethoxy)-4-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 167248701
2-[[4-[[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]methyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid
CID 163410835
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 163951559

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate?
The IUPAC name of 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate (CID 163440930) is 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate.
What is the SMILES notation for 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate?
The canonical SMILES for 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate is COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC(C(=O)O)C6)nc45)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6C[C@@H](O)CC6=O)nc45)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC#N)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC#N)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2C)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)c(Cl)cc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)cc(C)c1CN1CC2(CCC(=O)N2)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)O)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CNCC(=O)OCc6oc(=O)oc6C)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.
What is the InChIKey of 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate?
The InChIKey is AYMQMKQHMKKESY-UXDJOZDFSA-N. The full InChI is InChI=1S/C38H35Cl2N7O7S.2C36H33Cl2N7O4S.C35H33Cl2N7O4S.C34H32Cl2N8O2S.C34H34ClN7O4S.C33H30Cl3N7O4S.C33H30Cl2N8O2S.C33H31Cl2N7O4S/c1-20-28(54-38(50)53-20)19-52-32(49)18-42-17-31-47-35-29(55-31)13-14-43-36(35)45-27-8-4-6-24(34(27)40)23-5-3-7-25(33(23)39)26-11-9-21(37(46-26)51-2)15-41-16-22-10-12-30(48)44-22;1-49-35-20(15-44-18-36(19-44)12-10-28(47)43-36)8-9-25(41-35)24-6-2-4-22(31(24)37)23-5-3-7-26(32(23)38)40-34-33-27(11-13-39-34)50-29(42-33)17-45-16-21(46)14-30(45)48;1-49-34-20(14-45-18-36(19-45)12-10-28(46)43-36)8-9-25(41-34)24-6-2-4-22(30(24)37)23-5-3-7-26(31(23)38)40-33-32-27(11-13-39-33)50-29(42-32)17-44-15-21(16-44)35(47)48;1-19-13-25(41-34(48-2)23(19)16-44-17-35(18-44)11-9-27(45)43-35)22-7-3-5-20(30(22)36)21-6-4-8-24(31(21)37)40-33-32-26(10-12-39-33)49-28(42-32)14-38-15-29(46)47;1-19-15-26(43-34(46-2)24(19)17-39-16-20-9-10-28(45)41-20)23-7-3-5-21(30(23)35)22-6-4-8-25(31(22)36)42-33-32-27(11-13-40-33)47-29(44-32)18-38-14-12-37;1-19-22(5-3-6-23(19)25-11-9-20(34(41-25)46-2)15-36-16-21-10-12-28(43)39-21)24-7-4-8-26(31(24)35)40-33-32-27(13-14-38-33)47-29(42-32)17-37-18-30(44)45;1-47-33-17(13-37-14-18-8-9-25(44)40-18)12-22(34)30(43-33)21-6-2-4-19(28(21)35)20-5-3-7-23(29(20)36)41-32-31-24(10-11-39-32)48-26(42-31)15-38-16-27(45)46;1-45-33-19(16-38-17-20-9-11-27(44)40-20)8-10-24(42-33)23-6-2-4-21(29(23)34)22-5-3-7-25(30(22)35)41-32-31-26(12-14-39-32)46-28(43-31)18-37-15-13-36;1-46-33-18(14-36-15-19-9-11-26(43)39-19)8-10-23(41-33)22-6-2-4-20(29(22)34)21-5-3-7-24(30(21)35)40-32-31-25(12-13-38-32)47-27(42-31)16-37-17-28(44)45/h3-9,11,13-14,22,41-42H,10,12,15-19H2,1-2H3,(H,43,45)(H,44,48);2-9,11,13,21,46H,10,12,14-19H2,1H3,(H,39,40)(H,43,47);2-9,11,13,21H,10,12,14-19H2,1H3,(H,39,40)(H,43,46)(H,47,48);3-8,10,12-13,38H,9,11,14-18H2,1-2H3,(H,39,40)(H,43,45)(H,46,47);3-8,11,13,15,20,38-39H,9-10,14,16-18H2,1-2H3,(H,40,42)(H,41,45);3-9,11,13-14,21,36-37H,10,12,15-18H2,1-2H3,(H,38,40)(H,39,43)(H,44,45);2-7,10-12,18,37-38H,8-9,13-16H2,1H3,(H,39,41)(H,40,44)(H,45,46);2-8,10,12,14,20,37-38H,9,11,15-18H2,1H3,(H,39,41)(H,40,44);2-8,10,12-13,19,36-37H,9,11,14-17H2,1H3,(H,38,40)(H,39,43)(H,44,45)/t22-;21-;;;20-;21-;18-;20-;19-/m00..00000/s1.
What are the key properties of 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate?
2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate has a molecular weight of 6437.94 g/mol, XLogP of 57.06, 108 rotatable bonds, 37 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-chloro-3-[2-chloro-3-[3-chloro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[6-[2-chloro-3-[2-chloro-3-[[2-[[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]azetidine-3-carboxylic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetonitrile;2-[[4-[2-chloro-3-[3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-methylphenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetate is sourced from PubChem (CID 163440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).