 | | HC4 | | Name: | 4'-HYDROXYCINNAMIC ACID | | Formula: | C9 H8 O3 | | SMILES: | Oc1ccc(/C=C/C(=O)O)cc1 | | InChi: | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ | | Synonyms: | PARA-COUMARIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2025-01-08 | | Identifier: | (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
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 | | A1BEB | | Name: | 2-Methyllysine | | Formula: | C7 H16 N2 O2 | | SMILES: | NC(C)(CCCCN)C(=O)O | | InChi: | InChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)/t7-/m0/s1 | | Definition date: | 2024-10-25 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | 2-methyl-L-lysine |
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 | | A1BIP | | Name: | 7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine | | Formula: | C18 H11 F2 N3 | | SMILES: | Fc1ccc(cc1)c1nc2cc(F)ccn2c1c1ccncc1 | | InChi: | InChI=1S/C18H11F2N3/c19-14-3-1-12(2-4-14)17-18(13-5-8-21-9-6-13)23-10-7-15(20)11-16(23)22-17/h1-11H | | Definition date: | 2024-12-01 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | (4S)-7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine |
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 | | A1BIQ | | Name: | 2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile | | Formula: | C19 H11 F N4 | | SMILES: | Fc1ccc(cc1)c1nc2cc(ccn2c1c1ccncc1)C#N | | InChi: | InChI=1S/C19H11FN4/c20-16-3-1-14(2-4-16)18-19(15-5-8-22-9-6-15)24-10-7-13(12-21)11-17(24)23-18/h1-11H | | Definition date: | 2024-12-01 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | (4R)-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile |
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 | | A1ASZ | | Name: | 5-sulfanyl-L-histidine | | Formula: | C6 H9 N3 O2 S | | SMILES: | Sc1[NH]cnc1CC(N)C(=O)O | | InChi: | InChI=1S/C6H9N3O2S/c7-3(6(10)11)1-4-5(12)9-2-8-4/h2-3,12H,1,7H2,(H,8,9)(H,10,11)/t3-/m0/s1 | | Definition date: | 2024-05-23 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | 5-sulfanyl-L-histidine |
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 | | A1AWZ | | Name: | (2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4M)-4-(8-methoxyquinolin-6-yl)-1H-1,2,3-triazol-1-yl]propan-2-ol | | Formula: | C29 H24 F5 N5 O3 | | SMILES: | OC(Cn1cc(nn1)c1cc2cccnc2c(OC)c1)(c1cc(c(F)c(n1)c1ccc(F)cc1)C(C)(C)O)C(F)(F)F | | InChi: | InChI=1S/C29H24F5N5O3/c1-27(2,40)20-13-23(36-26(24(20)31)16-6-8-19(30)9-7-16)28(41,29(32,33)34)15-39-14-21(37-38-39)18-11-17-5-4-10-35-25(17)22(12-18)42-3/h4-14,40-41H,15H2,1-3H3/t28-/m0/s1 | | Synonyms: | JNJ-2729 | | Definition date: | 2024-07-10 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | (2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4M)-4-(8-methoxyquinolin-6-yl)-1H-1,2,3-triazol-1-yl]propan-2-ol |
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 | | A1A0P | | Name: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-heptadec-9-enoate | | Formula: | C38 H74 N O8 P | | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h15,17,36H,3-14,16,18-35,39H2,1-2H3,(H,42,43)/b17-15-/t36-/m1/s1 | | Definition date: | 2024-08-01 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-heptadec-9-enoate |
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 | | A1A4U | | Name: | (2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide | | Formula: | C32 H35 N3 O3 S2 | | SMILES: | O=S(=O)(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1ccccc1 | | InChi: | InChI=1S/C32H35N3O3S2/c36-32(34-21-11-17-28-16-10-20-33-24-28)31(23-27-14-6-2-7-15-27)39-25-29(22-26-12-4-1-5-13-26)35-40(37,38)30-18-8-3-9-19-30/h1-10,12-16,18-20,24,29,31,35H,11,17,21-23,25H2,(H,34,36)/t29-,31+/m0/s1 | | Definition date: | 2024-09-05 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | (2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide |
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 | | A1A4V | | Name: | N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide | | Formula: | C36 H36 N4 O2 S | | SMILES: | O=C(NC(Cc1cccc2ccccc21)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1 | | InChi: | InChI=1S/C36H36N4O2S/c41-35(31-17-9-20-38-25-31)40-32(23-30-16-6-15-29-14-4-5-18-33(29)30)26-43-34(22-27-10-2-1-3-11-27)36(42)39-21-8-13-28-12-7-19-37-24-28/h1-7,9-12,14-20,24-25,32,34H,8,13,21-23,26H2,(H,39,42)(H,40,41)/t32-,34+/m0/s1 | | Definition date: | 2024-09-05 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide |
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 | | A1IU7 | | Name: | ~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide | | Formula: | C16 H15 N3 O | | SMILES: | CCC(=O)Nc1ccccc1c2cnc3[nH]ccc3c2 | | InChi: | InChI=1S/C16H15N3O/c1-2-15(20)19-14-6-4-3-5-13(14)12-9-11-7-8-17-16(11)18-10-12/h3-10H,2H2,1H3,(H,17,18)(H,19,20) | | Definition date: | 2024-11-25 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | ~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide |
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 | | WBE | | Name: | 2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide | | Formula: | C34 H37 Cl2 F N10 O3 | | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCNc1nnc(N)[NH]1 | | InChi: | InChI=1S/C34H37Cl2FN10O3/c35-24-9-8-22(27(36)17-24)16-29(44-31(49)28(39)15-21-4-1-2-5-23(21)19-38)32(50)43-26(14-20-6-10-25(37)11-7-20)18-30(48)41-12-3-13-42-34-45-33(40)46-47-34/h1-2,4-11,17,26,28-29H,3,12-16,18,39H2,(H,41,48)(H,43,50)(H,44,49)(H4,40,42,45,46,47)/t26-,28+,29+/m0/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide |
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 | | WBK | | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[5-(dimethylamino)pentyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | | Formula: | C36 H43 Cl2 F N6 O3 | | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCCN(C)C | | InChi: | InChI=1S/C36H43Cl2FN6O3/c1-45(2)17-7-3-6-16-42-34(46)22-30(18-24-10-14-29(39)15-11-24)43-36(48)33(20-26-12-13-28(37)21-31(26)38)44-35(47)32(41)19-25-8-4-5-9-27(25)23-40/h4-5,8-15,21,30,32-33H,3,6-7,16-20,22,41H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)/t30-,32+,33+/m0/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[5-(dimethylamino)pentyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | | WBO | | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | | Formula: | C35 H41 Cl2 F N6 O3 | | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN(C)C | | InChi: | InChI=1S/C35H41Cl2FN6O3/c1-44(2)16-6-5-15-41-33(45)21-29(17-23-9-13-28(38)14-10-23)42-35(47)32(19-25-11-12-27(36)20-30(25)37)43-34(46)31(40)18-24-7-3-4-8-26(24)22-39/h3-4,7-14,20,29,31-32H,5-6,15-19,21,40H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)/t29-,31+,32+/m0/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | | 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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 | | A1BJA | | Name: | [(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl][5-(2-hydroxyethoxy)pyrimidin-2-yl]methanone | | Formula: | C19 H18 Cl2 N4 O3 | | SMILES: | OCCOc1cnc(nc1)C(=O)N1CCc2[NH]c3c(Cl)c(Cl)ccc3c2C1C | | InChi: | InChI=1S/C19H18Cl2N4O3/c1-10-15-12-2-3-13(20)16(21)17(12)24-14(15)4-5-25(10)19(27)18-22-8-11(9-23-18)28-7-6-26/h2-3,8-10,24,26H,4-7H2,1H3/t10-/m0/s1 | | Definition date: | 2024-12-06 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | [(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl][5-(2-hydroxyethoxy)pyrimidin-2-yl]methanone |
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 | | A1BJD | | Name: | 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid | | Formula: | C20 H18 Cl N5 O4 | | SMILES: | O=C(O)c1ncccc1C(=O)N(C)C(C)C(=O)Nc1cc(Cl)cc(c1)c1ncc[NH]1 | | InChi: | InChI=1S/C20H18ClN5O4/c1-11(26(2)19(28)15-4-3-5-22-16(15)20(29)30)18(27)25-14-9-12(8-13(21)10-14)17-23-6-7-24-17/h3-11H,1-2H3,(H,23,24)(H,25,27)(H,29,30)/t11-/m0/s1 | | Definition date: | 2024-12-06 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid |
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 | | A1BJH | | Name: | 3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]carbamoyl}pyridine-2-carboxylic acid | | Formula: | C15 H11 Cl F N3 O4 | | SMILES: | OC(=O)c1ncccc1C(=O)NCC(=O)Nc1ccc(F)c(Cl)c1 | | InChi: | InChI=1S/C15H11ClFN3O4/c16-10-6-8(3-4-11(10)17)20-12(21)7-19-14(22)9-2-1-5-18-13(9)15(23)24/h1-6H,7H2,(H,19,22)(H,20,21)(H,23,24) | | Definition date: | 2024-12-06 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]carbamoyl}pyridine-2-carboxylic acid |
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 | | A1BLA | | Name: | (5P)-N,N-dimethyl-5-(naphthalen-1-yl)-6-(pyridin-4-yl)pyrazin-2-amine | | Formula: | C21 H18 N4 | | SMILES: | CN(C)c1cnc(c2cccc3ccccc23)c(n1)c1ccncc1 | | InChi: | InChI=1S/C21H18N4/c1-25(2)19-14-23-21(20(24-19)16-10-12-22-13-11-16)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3 | | Definition date: | 2024-12-13 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | (5P)-N,N-dimethyl-5-(naphthalen-1-yl)-6-(pyridin-4-yl)pyrazin-2-amine |
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 | | A1AFA | | Name: | N-(2,4-dichlorobenzoyl)-L-phenylalanine | | Formula: | C16 H13 Cl2 N O3 | | SMILES: | O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1Cl | | InChi: | InChI=1S/C16H13Cl2NO3/c17-11-6-7-12(13(18)9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,19,20)(H,21,22)/t14-/m0/s1 | | Definition date: | 2024-02-22 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | N-(2,4-dichlorobenzoyl)-L-phenylalanine |
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