 | | O3I | | Name: | 2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C21 H17 Cl F2 N2 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F | | InChi: | InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide |
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 | | O3U | | Name: | N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide | | Formula: | C15 H18 N4 O S | | SMILES: | CC(=O)NC1=NC(SC)=C(C#N)C2(CCCCC2)C1C#N | | InChi: | InChI=1S/C15H18N4OS/c1-10(20)18-13-11(8-16)15(6-4-3-5-7-15)12(9-17)14(19-13)21-2/h11H,3-7H2,1-2H3,(H,18,19,20)/t11-/m1/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide |
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 | | O4L | | Name: | N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide | | Formula: | C17 H16 N4 O3 | | SMILES: | CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C | | InChi: | InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
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 | | O5C | | Name: | 1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one | | Formula: | C18 H14 F N O2 | | SMILES: | Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O | | InChi: | InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one |
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 | | O65 | | Name: | 3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde | | Formula: | C10 H12 O4 | | SMILES: | Cc1c(CO)cc(cc1CO)C(O)=O | | InChi: | InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14) | | Definition date: | 2020-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2021-02-17 | | Identifier: | 3,5-bis(hydroxymethyl)-4-methyl-benzoic acid |
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 | | O7D | | Name: | 4-methoxy-N-methyl-L-tryptophan | | Formula: | C13 H16 N2 O3 | | SMILES: | CNC(Cc1cnc2cccc(c12)OC)C(=O)O | | InChi: | InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1 | | Definition date: | 2019-06-17 | | Last modified: | 2023-11-03 | | Release date: | 2020-05-13 | | Identifier: | 4-methoxy-N-methyl-L-tryptophan |
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 | | O87 | | Name: | 4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one | | Formula: | C21 H18 F3 N3 O2 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F | | InChi: | InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one |
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 | | O8L | | Name: | (2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C18 H18 Cl N3 O3 | | SMILES: | Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1 | | InChi: | InChI=1S/C18H18ClN3O3/c1-10-3-4-20-9-15(10)21-18(24)11(2)12-5-13(19)7-14(6-12)25-17-8-16(23)22-17/h3-7,9,11,17H,8H2,1-2H3,(H,21,24)(H,22,23)/t11-,17+/m0/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide |
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 | | O9O | | Name: | N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide | | Formula: | C23 H18 Cl N3 O3 | | SMILES: | COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1 | | InChi: | InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide |
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 | | O9X | | Name: | (2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C10 H12 F2 N2 O2 | | SMILES: | O=C(Nc1cnccc1C)C(C)OC(F)F | | InChi: | InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
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 | | OAO | | Name: | 2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C18 H17 Cl N4 O3 | | SMILES: | Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1 | | InChi: | InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide |
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 | | 32L | | Name: | ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate | | Formula: | C10 H21 N O3 | | SMILES: | O=C(OCC)CC(O)C(N)CC(C)C | | InChi: | InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1 | | Definition date: | 2014-05-27 | | Last modified: | 2023-11-03 | | Release date: | 2014-06-04 | | Identifier: | ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate |
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 | | 32S | | Name: | (S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID | | Formula: | C9 H10 N2 O2 Se | | SMILES: | O=C(O)C(N)Cc2c1[se]ccc1nc2 | | InChi: | InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1 | | Definition date: | 2003-12-30 | | Last modified: | 2023-11-03 | | Identifier: | 3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine |
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 | | 32T | | Name: | (S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID | | Formula: | C9 H10 N2 O2 S | | SMILES: | O=C(O)C(N)Cc2c1sccc1nc2 | | InChi: | InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1 | | Definition date: | 2003-12-30 | | Last modified: | 2023-11-03 | | Identifier: | 3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine |
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 | | OBO | | Name: | 2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide | | Formula: | C14 H11 Cl N4 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12 | | InChi: | InChI=1S/C14H11ClN4O/c15-10-3-1-2-9(4-10)5-13(20)19-12-7-16-6-11-14(12)18-8-17-11/h1-4,6-8H,5H2,(H,17,18)(H,19,20) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide |
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 | | 33S | | Name: | 3-iodo-L-phenylalanine | | Formula: | C9 H10 I N O2 | | SMILES: | Ic1cc(ccc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2014-06-13 | | Last modified: | 2023-11-03 | | Release date: | 2014-11-12 | | Identifier: | 3-iodo-L-phenylalanine |
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 | | 33X | | Name: | N-methyl-D-alanine | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(NC)C | | InChi: | InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1 | | Definition date: | 2014-06-16 | | Last modified: | 2023-11-03 | | Release date: | 2014-11-12 | | Identifier: | N-methyl-D-alanine |
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 | | OCE | | Name: | octanedioic acid | | Formula: | C8 H14 O4 | | SMILES: | O=C(O)CCCCCCC(=O)O | | InChi: | InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) | | Definition date: | 2010-05-26 | | Last modified: | 2023-11-03 | | Identifier: | octanedioic acid |
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 | | OCI | | Name: | 2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H15 Cl N4 O3 S | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O)cc(Cl)c1 | | InChi: | InChI=1S/C14H15ClN4O3S/c1-9-2-3-17-8-13(9)18-14(20)6-10-4-11(15)7-12(5-10)19-23(16,21)22/h2-5,7-8,19H,6H2,1H3,(H,18,20)(H2,16,21,22) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | 34H | | Name: | (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID | | Formula: | C9 H10 O4 | | SMILES: | O=C(O)C(O)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1 | | Definition date: | 2010-07-21 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
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 | | OD7 | | Name: | 2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide | | Formula: | C26 H28 N6 O2 | | SMILES: | COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c3ccc(cc3)C3CCNCC3)c2c1 | | InChi: | InChI=1S/C26H28N6O2/c1-34-23-9-10-24-25(16-23)32(30-29-24)18-26(33)31(17-21-4-2-3-13-28-21)22-7-5-19(6-8-22)20-11-14-27-15-12-20/h2-10,13,16,20,27H,11-12,14-15,17-18H2,1H3 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide |
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 | | 55I | | Name: | 4-(trifluoromethyl)-L-phenylalanine | | Formula: | C10 H10 F3 N O2 | | SMILES: | FC(F)(F)c1ccc(CC(N)C(=O)O)cc1 | | InChi: | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 2021-07-16 | | Last modified: | 2023-11-03 | | Release date: | 2021-09-29 | | Identifier: | 4-(trifluoromethyl)-L-phenylalanine |
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 | | 562 | | Name: | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine | | Formula: | C12 H26 N7 O4 | | SMILES: | NC(CCCNC(=N)NCCOCCOCCN=[N+]=N)C(=O)O | | InChi: | InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1 | | Definition date: | 2015-07-31 | | Last modified: | 2023-11-03 | | Release date: | 2018-03-14 | | Identifier: | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine |
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 | | ODX | | Name: | 2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C19 H22 Cl N3 O2 | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O)cc(Cl)c1 | | InChi: | InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | 56C | | Name: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine | | Formula: | C14 H30 N7 O5 | | SMILES: | NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N | | InChi: | InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1 | | Definition date: | 2015-08-03 | | Last modified: | 2023-11-03 | | Release date: | 2018-03-14 | | Identifier: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine |
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