 | WCZ | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutan-2-yl]-D-phenylalaninamide | Formula: | C37 H44 Cl2 F N7 O3 | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCN1CCN(C)CC1 | InChi: | InChI=1S/C37H44Cl2FN7O3/c1-46-15-17-47(18-16-46)14-4-13-43-35(48)23-31(19-25-7-11-30(40)12-8-25)44-37(50)34(21-27-9-10-29(38)22-32(27)39)45-36(49)33(42)20-26-5-2-3-6-28(26)24-41/h2-3,5-12,22,31,33-34H,4,13-21,23,42H2,1H3,(H,43,48)(H,44,50)(H,45,49)/t31-,33+,34+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-27 | Release date: | 2025-01-01 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | WDQ | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-3-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide | Formula: | C37 H37 Cl2 F N6 O3 | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCc1cccnc1 | InChi: | InChI=1S/C37H37Cl2FN6O3/c38-29-12-11-27(32(39)20-29)19-34(46-36(48)33(42)18-26-7-1-2-8-28(26)22-41)37(49)45-31(17-24-9-13-30(40)14-10-24)21-35(47)44-16-4-6-25-5-3-15-43-23-25/h1-3,5,7-15,20,23,31,33-34H,4,6,16-19,21,42H2,(H,44,47)(H,45,49)(H,46,48)/t31-,33+,34+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-27 | Release date: | 2025-01-01 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-3-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide |
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 | WE8 | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-4-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide | Formula: | C37 H37 Cl2 F N6 O3 | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCc1ccncc1 | InChi: | InChI=1S/C37H37Cl2FN6O3/c38-29-10-9-27(32(39)21-29)20-34(46-36(48)33(42)19-26-5-1-2-6-28(26)23-41)37(49)45-31(18-25-7-11-30(40)12-8-25)22-35(47)44-15-3-4-24-13-16-43-17-14-24/h1-2,5-14,16-17,21,31,33-34H,3-4,15,18-20,22,42H2,(H,44,47)(H,45,49)(H,46,48)/t31-,33+,34+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-27 | Release date: | 2025-01-01 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-4-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide |
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 | WEK | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-[(4-methoxybutyl)amino]-4-oxobutan-2-yl}-D-phenylalaninamide | Formula: | C34 H38 Cl2 F N5 O4 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCOC | InChi: | InChI=1S/C34H38Cl2FN5O4/c1-46-15-5-4-14-40-32(43)20-28(16-22-8-12-27(37)13-9-22)41-34(45)31(18-24-10-11-26(35)19-29(24)36)42-33(44)30(39)17-23-6-2-3-7-25(23)21-38/h2-3,6-13,19,28,30-31H,4-5,14-18,20,39H2,1H3,(H,40,43)(H,41,45)(H,42,44)/t28-,30+,31+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-27 | Release date: | 2025-01-01 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-[(4-methoxybutyl)amino]-4-oxobutan-2-yl}-D-phenylalaninamide |
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 | WEO | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(pent-4-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide | Formula: | C34 H34 Cl2 F N5 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCC#C | InChi: | InChI=1S/C34H34Cl2FN5O3/c1-2-3-6-15-40-32(43)20-28(16-22-9-13-27(37)14-10-22)41-34(45)31(18-24-11-12-26(35)19-29(24)36)42-33(44)30(39)17-23-7-4-5-8-25(23)21-38/h1,4-5,7-14,19,28,30-31H,3,6,15-18,20,39H2,(H,40,43)(H,41,45)(H,42,44)/t28-,30+,31+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-27 | Release date: | 2025-01-01 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(pent-4-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide |
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 | WEX | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(2-phenylethyl)amino]butan-2-yl}-D-phenylalaninamide | Formula: | C37 H36 Cl2 F N5 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCc1ccccc1 | InChi: | InChI=1S/C37H36Cl2FN5O3/c38-29-13-12-27(32(39)21-29)20-34(45-36(47)33(42)19-26-8-4-5-9-28(26)23-41)37(48)44-31(18-25-10-14-30(40)15-11-25)22-35(46)43-17-16-24-6-2-1-3-7-24/h1-15,21,31,33-34H,16-20,22,42H2,(H,43,46)(H,44,48)(H,45,47)/t31-,33+,34+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-27 | Release date: | 2025-01-01 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(2-phenylethyl)amino]butan-2-yl}-D-phenylalaninamide |
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 | WF2 | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[4-(pyrrolidin-1-yl)butyl]amino}butan-2-yl]-D-phenylalaninamide | Formula: | C37 H43 Cl2 F N6 O3 | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN1CCCC1 | InChi: | InChI=1S/C37H43Cl2FN6O3/c38-29-12-11-27(32(39)22-29)21-34(45-36(48)33(42)20-26-7-1-2-8-28(26)24-41)37(49)44-31(19-25-9-13-30(40)14-10-25)23-35(47)43-15-3-4-16-46-17-5-6-18-46/h1-2,7-14,22,31,33-34H,3-6,15-21,23,42H2,(H,43,47)(H,44,49)(H,45,48)/t31-,33+,34+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-27 | Release date: | 2025-01-01 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[4-(pyrrolidin-1-yl)butyl]amino}butan-2-yl]-D-phenylalaninamide |
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 | WB0 | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-(methylamino)-4-oxobutan-2-yl]-D-phenylalaninamide | Formula: | C30 H30 Cl2 F N5 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NC | InChi: | InChI=1S/C30H30Cl2FN5O3/c1-36-28(39)16-24(12-18-6-10-23(33)11-7-18)37-30(41)27(14-20-8-9-22(31)15-25(20)32)38-29(40)26(35)13-19-4-2-3-5-21(19)17-34/h2-11,15,24,26-27H,12-14,16,35H2,1H3,(H,36,39)(H,37,41)(H,38,40)/t24-,26+,27+/m0/s1 | Definition date: | 2023-09-29 | Last modified: | 2024-12-20 | Release date: | 2024-12-25 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-(methylamino)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | WB5 | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-D-phenylalaninamide | Formula: | C30 H31 Cl2 N5 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccccc1)CC(=O)NC | InChi: | InChI=1S/C30H31Cl2N5O3/c1-35-28(38)17-24(13-19-7-3-2-4-8-19)36-30(40)27(15-21-11-12-23(31)16-25(21)32)37-29(39)26(34)14-20-9-5-6-10-22(20)18-33/h2-12,16,24,26-27H,13-15,17,34H2,1H3,(H,35,38)(H,36,40)(H,37,39)/t24-,26+,27+/m0/s1 | Definition date: | 2023-09-29 | Last modified: | 2024-12-20 | Release date: | 2024-12-25 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-D-phenylalaninamide |
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 | WC0 | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[2-(dimethylamino)ethyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | Formula: | C33 H37 Cl2 F N6 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCN(C)C | InChi: | InChI=1S/C33H37Cl2FN6O3/c1-42(2)14-13-39-31(43)19-27(15-21-7-11-26(36)12-8-21)40-33(45)30(17-23-9-10-25(34)18-28(23)35)41-32(44)29(38)16-22-5-3-4-6-24(22)20-37/h3-12,18,27,29-30H,13-17,19,38H2,1-2H3,(H,39,43)(H,40,45)(H,41,44)/t27-,29+,30+/m0/s1 | Definition date: | 2023-09-29 | Last modified: | 2024-12-20 | Release date: | 2024-12-25 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[2-(dimethylamino)ethyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | WDK | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | Formula: | C34 H39 Cl2 F N6 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCN(C)C | InChi: | InChI=1S/C34H39Cl2FN6O3/c1-43(2)15-5-14-40-32(44)20-28(16-22-8-12-27(37)13-9-22)41-34(46)31(18-24-10-11-26(35)19-29(24)36)42-33(45)30(39)17-23-6-3-4-7-25(23)21-38/h3-4,6-13,19,28,30-31H,5,14-18,20,39H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t28-,30+,31+/m0/s1 | Definition date: | 2023-10-02 | Last modified: | 2024-12-20 | Release date: | 2024-12-25 | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | Y3K | Name: | 6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one | Formula: | C32 H39 N5 O5 | SMILES: | O=C1Nc2ccc(cc2N1C)C(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | InChi: | InChI=1S/C32H39N5O5/c1-35-28-15-22(4-5-26(28)34-32(35)40)30(38)37-17-23-6-10-36(11-7-24(23)18-37)31(39)25-14-27(21-2-3-21)33-29(16-25)42-19-20-8-12-41-13-9-20/h4-5,14-16,20-21,23-24H,2-3,6-13,17-19H2,1H3,(H,34,40) | Definition date: | 2023-06-09 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one |
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 | ZIW | Name: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine | Formula: | C18 H19 Cl N4 O3 S | SMILES: | O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1 | InChi: | InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1 | Definition date: | 2023-06-23 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine |
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 | Y6I | Name: | [3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate | Formula: | C22 H21 F4 N7 O4 | SMILES: | FC(F)(F)Oc1ccc(cc1F)COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[NH]nnc2C1 | InChi: | InChI=1S/C22H21F4N7O4/c23-15-9-13(1-2-19(15)37-22(24,25)26)12-36-21(35)31-5-3-14-10-17(29-33(14)8-7-31)20(34)32-6-4-16-18(11-32)28-30-27-16/h1-2,9-10H,3-8,11-12H2,(H,27,28,30) | Definition date: | 2023-06-12 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | [3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate |
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 | Y6R | Name: | (2E)-1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | Formula: | C25 H24 F3 N5 O3 | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | InChi: | InChI=1S/C25H24F3N5O3/c26-25(27,28)36-20-5-1-16(2-6-20)3-8-23(34)32-11-9-18-14-33(15-19(18)10-12-32)24(35)17-4-7-21-22(13-17)30-31-29-21/h1-8,13,18-19H,9-12,14-15H2,(H,29,30,31) | Definition date: | 2023-06-12 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (2E)-1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
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 | Y9I | Name: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(5-methylpyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine | Formula: | C20 H19 Cl N6 | SMILES: | Clc1ccc2CC(Cc2c1)Nc1ncc2CN(Cc2n1)c1ncc(C)cn1 | InChi: | InChI=1S/C20H19ClN6/c1-12-7-23-20(24-8-12)27-10-15-9-22-19(26-18(15)11-27)25-17-5-13-2-3-16(21)4-14(13)6-17/h2-4,7-9,17H,5-6,10-11H2,1H3,(H,22,25,26)/t17-/m0/s1 | Definition date: | 2023-06-12 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(5-methylpyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine |
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 | YMU | Name: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine | Formula: | C18 H19 Cl N4 O3 S | SMILES: | O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1 | InChi: | InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine |
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 | YN2 | Name: | 4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile | Formula: | C25 H24 N6 O2 | SMILES: | N#Cc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | InChi: | InChI=1S/C25H24N6O2/c26-14-18-3-1-17(2-4-18)5-8-24(32)30-11-9-20-15-31(16-21(20)10-12-30)25(33)19-6-7-22-23(13-19)28-29-27-22/h1-8,13,20-21H,9-12,15-16H2,(H,27,28,29) | Definition date: | 2023-06-19 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile |
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 | YOW | Name: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one | Formula: | C21 H23 N7 O2 | SMILES: | O=C(COCCc1cnn[NH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 | InChi: | InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27) | Definition date: | 2023-06-19 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one |
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 | YPB | Name: | (4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione | Formula: | C27 H27 N3 O6 | SMILES: | Cc1ccc2c(OCCOc3ccccc3COC(=O)C3=C(C)NC=4N(CC)C(=O)NC(=O)C=4C32)c1 | InChi: | InChI=1S/C27H27N3O6/c1-4-30-24-23(25(31)29-27(30)33)22-18-10-9-15(2)13-20(18)35-12-11-34-19-8-6-5-7-17(19)14-36-26(32)21(22)16(3)28-24/h5-10,13,22,28H,4,11-12,14H2,1-3H3,(H,29,31,33)/t22-/m1/s1 | Synonyms: | JJ-II-363A | Definition date: | 2023-12-08 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione |
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 | YD0 | Name: | (2E)-1-[(3aR,8aS)-2-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | Formula: | C25 H28 F3 N5 O3 | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)N1CCc2[NH]ncc2C1 | InChi: | InChI=1S/C25H28F3N5O3/c26-25(27,28)36-21-4-1-17(2-5-21)3-6-23(34)31-10-7-18-14-33(15-19(18)8-11-31)24(35)32-12-9-22-20(16-32)13-29-30-22/h1-6,13,18-19H,7-12,14-16H2,(H,29,30) | Definition date: | 2023-06-13 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (2E)-1-[(3aR,8aS)-2-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
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 | YE9 | Name: | [(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone | Formula: | C30 H39 N5 O6 | SMILES: | O=C(c1cc(nc(OCC2CCOCC2)c1)C1CC1)N1CCC2CN(CC2CC1)C(=O)N1Cc2onc(O)c2CC1 | InChi: | InChI=1S/C30H39N5O6/c36-28-24-5-10-34(17-26(24)41-32-28)30(38)35-15-21-3-8-33(9-4-22(21)16-35)29(37)23-13-25(20-1-2-20)31-27(14-23)40-18-19-6-11-39-12-7-19/h13-14,19-22H,1-12,15-18H2,(H,32,36) | Definition date: | 2023-06-13 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | [(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone |
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 | YF9 | Name: | (2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile | Formula: | C19 H18 Cl N5 O3 S | SMILES: | O=S(=O)(N1Cc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1)C1COC1 | InChi: | InChI=1S/C19H18ClN5O3S/c20-14-1-11-3-15(4-17(11)12(2-14)5-21)23-19-22-6-13-7-25(8-18(13)24-19)29(26,27)16-9-28-10-16/h1-2,6,15-16H,3-4,7-10H2,(H,22,23,24)/t15-/m1/s1 | Definition date: | 2023-06-13 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile |
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 | YFI | Name: | (2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile | Formula: | C17 H16 Cl N5 O2 S | SMILES: | Clc1cc2CC(Cc2c(C#N)c1)Nc1ncc2CN(Cc2n1)S(C)(=O)=O | InChi: | InChI=1S/C17H16ClN5O2S/c1-26(24,25)23-8-12-7-20-17(22-16(12)9-23)21-14-4-10-2-13(18)3-11(6-19)15(10)5-14/h2-3,7,14H,4-5,8-9H2,1H3,(H,20,21,22)/t14-/m1/s1 | Definition date: | 2023-06-13 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile |
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 | YG6 | Name: | 1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one | Formula: | C31 H39 N5 O3 | SMILES: | CC(C)c1cc2CCC(C)(C)c2cc1OCC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | InChi: | InChI=1S/C31H39N5O3/c1-19(2)24-13-20-7-10-31(3,4)25(20)15-28(24)39-18-29(37)35-11-8-22-16-36(17-23(22)9-12-35)30(38)21-5-6-26-27(14-21)33-34-32-26/h5-6,13-15,19,22-23H,7-12,16-18H2,1-4H3,(H,32,33,34) | Definition date: | 2023-06-13 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one |
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