 | | YR6 | | Name: | (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Formula: | C19 H14 F N5 O5 S | | SMILES: | Cc1oncc1C(/O)=C(C#N)C(=O)Nc1nc(c2cccc(F)c2)c(cn1)S(C)(=O)=O | | InChi: | InChI=1S/C19H14FN5O5S/c1-10-14(8-23-30-10)17(26)13(7-21)18(27)25-19-22-9-15(31(2,28)29)16(24-19)11-4-3-5-12(20)6-11/h3-6,8-9,26H,1-2H3,(H,22,24,25,27)/b17-13- | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide |
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 | | HY3 | | Name: | 3-HYDROXYPROLINE | | Formula: | C5 H9 N O3 | | SMILES: | O=C(O)C1NCCC1O | | InChi: | InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 | | Synonyms: | (2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid | | Definition date: | 2006-03-22 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-hydroxy-L-proline |
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 | | G8X | | Name: | (2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid | | Formula: | C5 H9 N O3 | | SMILES: | O[CH]1CCN[CH]1C(O)=O | | InChi: | InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 | | Definition date: | 2020-08-06 | | Last modified: | 2023-11-03 | | Release date: | 2021-06-16 | | Identifier: | (2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid |
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 | | DPL | | Name: | 4-OXOPROLINE | | Formula: | C5 H7 N O3 | | SMILES: | O=C(O)C1NCC(=O)C1 | | InChi: | InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 4-oxo-L-proline |
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 | | NRX | | Name: | 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide | | Formula: | C15 H12 Cl N3 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1ncn2ccccc12 | | InChi: | InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-14(20)18-15-13-6-1-2-7-19(13)10-17-15/h1-8,10H,9H2,(H,18,20) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide |
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 | | YGR | | Name: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol | | Formula: | C31 H37 Br N4 O7 | | SMILES: | COc1nc(cc(c1OC)C(c1cc2cc(Br)ccc2nc1OC)C(O)(CCN(C)C)c1cc(OC)nc(OC)c1)OC | | InChi: | InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1 | | Definition date: | 2023-02-01 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol |
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 | | NZ6 | | Name: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one | | Formula: | C27 H28 Cl N5 O | | SMILES: | CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1 | | InChi: | InChI=1S/C27H28ClN5O/c1-4-22(34)32-14-27(15-32)11-19(12-27)33-17(3)23(26(31-33)18-8-6-5-7-9-18)24-20-13-29-30-21(20)10-16(2)25(24)28/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,29,30) | | Synonyms: | [6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor) | | Definition date: | 2022-08-25 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one |
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 | | KAU | | Name: | N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide | | Formula: | C19 H19 Cl N6 O | | SMILES: | O=C(NC1CCN(C1)c1ccc(Cl)cn1)c1nn(C)cc1c1ccncc1 | | InChi: | InChI=1S/C19H19ClN6O/c1-25-12-16(13-4-7-21-8-5-13)18(24-25)19(27)23-15-6-9-26(11-15)17-3-2-14(20)10-22-17/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,27)/t15-/m1/s1 | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide |
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 | | IO4 | | Name: | (8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide | | Formula: | C19 H13 Cl N4 O | | SMILES: | Clc1nccc(c1)NC(=O)c1cn2nc(cc2cc1)c1ccccc1 | | InChi: | InChI=1S/C19H13ClN4O/c20-18-10-15(8-9-21-18)22-19(25)14-6-7-16-11-17(23-24(16)12-14)13-4-2-1-3-5-13/h1-12H,(H,21,22,25) | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide |
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 | | BJ9 | | Name: | 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name) | | Formula: | C17 H23 N5 O14 | | SMILES: | NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1OC(N2C=C(C(=O)NC2=O)C(=O)O)C(O)C1O)C(=O)O | | InChi: | InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4-,5-,6-,7+,8-,9+,10+,13+/m0/s1 | | Synonyms: | Polyoxin d | | Definition date: | 2021-11-15 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name) |
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 | | T23 | | Name: | 2'-O-METHYL-3'-METHYL-3'-DEOXY-ARABINOFURANOSYL-THYMINE-5'-PHOSPHATE | | Formula: | C12 H19 N2 O8 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(C2OC)C)COP(=O)(O)O | | InChi: | InChI=1S/C12H19N2O8P/c1-6-4-14(12(16)13-10(6)15)11-9(20-3)7(2)8(22-11)5-21-23(17,18)19/h4,7-9,11H,5H2,1-3H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1 | | Definition date: | 1999-12-29 | | Last modified: | 2022-06-13 | | Identifier: | 3'-deoxy-3',5-dimethyl-2'-O-methyluridine 5'-(dihydrogen phosphate) |
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 | | ZK7 | | Name: | 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C38 H47 F3 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3(CCC3)C(F)(F)F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C38H47F3N6O9S/c1-22-31(43-28-18-24(54-3)12-13-26(28)42-22)55-25-19-29-30(48)45-37(33(50)46-57(52,53)35(2)16-17-35)20-23(37)10-7-5-4-6-8-11-27(32(49)47(29)21-25)44-34(51)56-36(14-9-15-36)38(39,40)41/h7,10,12-13,18,23,25,27,29H,4-6,8-9,11,14-17,19-21H2,1-3H3,(H,44,51)(H,45,48)(H,46,50)/b10-7-/t23-,25-,27+,29+,37-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-04 | | Release date: | 2022-03-09 | | Identifier: | 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | SJA | | Name: | Amorphadiene | | Formula: | C15 H24 | | SMILES: | C[CH]1CC[CH]([CH]2C=C(C)CC[CH]12)C(C)=C | | InChi: | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1 | | Synonyms: | (1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene | | Definition date: | 2020-03-09 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene |
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 | | 7S1 | | Name: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine | | Formula: | C19 H17 N5 | | SMILES: | C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3 | | InChi: | InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1 | | Synonyms: | antagonist A804598 | | Definition date: | 2016-12-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-04 | | Identifier: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine |
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 | | ECF | | Name: | 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol | | Formula: | C12 H9 F N4 O | | SMILES: | Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1 | | InChi: | InChI=1S/C12H9FN4O/c13-7-3-8-9(17-2-1-15-6-17)5-11(14)16-12(8)10(18)4-7/h1-6,18H,(H2,14,16) | | Definition date: | 2019-12-10 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol |
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 | | TW7 | | Name: | 2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride | | Formula: | C6 H9 F3 O4 | | SMILES: | C1(F)C(F)(F)C(C(O)C(O1)CO)O | | InChi: | InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride |
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 | | NKQ | | Name: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate | | Formula: | C21 H37 O7 P | | SMILES: | O=P(OCC(O)COC(=O)CCCCCCC/C=C/CC=C/CC=C/CC)(O)O | | InChi: | InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)/b4-3-,7-6-,10-9+/t20-/m1/s1 | | Synonyms: | 18:3 LPA, 1-linolenoyl-lysophosphatidic acid | | Definition date: | 2010-11-05 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate |
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 | | N7M | | Name: | 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide | | Formula: | C9 H13 N3 O4 S | | SMILES: | c1cc(S(=O)(=O)N)ccc1NC(=O)NCCO | | InChi: | InChI=1S/C9H13N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,10,15,16)(H2,11,12,14) | | Definition date: | 2019-05-06 | | Last modified: | 2020-05-01 | | Release date: | 2020-05-06 | | Identifier: | 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide |
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 | | NWW | | Name: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide | | Formula: | C10 H12 N6 O4 | | SMILES: | NC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | | Definition date: | 2020-01-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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 | | Q77 | | Name: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione | | Formula: | C9 H10 N2 O3 S | | SMILES: | Cc1cc2c(c(C)c1)NC(NS2(=O)=O)=O | | InChi: | InChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)15(13,14)11-9(12)10-8/h3-4H,1-2H3,(H2,10,11,12) | | Definition date: | 2019-09-27 | | Last modified: | 2019-12-13 | | Release date: | 2019-12-18 | | Identifier: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
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 | | FWY | | Name: | hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium | | Formula: | C20 H19 N4 O5 S | | SMILES: | C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c4cccc([N+](O)=O)c4)=O | | InChi: | InChI=1S/C20H19N4O5S/c25-20(15-3-1-5-17(13-15)24(26)27)22-9-11-23(12-10-22)30(28,29)19-6-2-4-16-14-21-8-7-18(16)19/h1-8,13-14H,9-12H2,(H,26,27)/q+1 | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium |
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 | | 4RN | | Name: | (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine | | Formula: | C17 H19 Cl2 N5 | | SMILES: | C(CNc2nc1c(nccc1)n2)(CNCc3cc(cc(c3)Cl)Cl)C | | InChi: | InChI=1S/C17H19Cl2N5/c1-11(8-20-10-12-5-13(18)7-14(19)6-12)9-22-17-23-15-3-2-4-21-16(15)24-17/h2-7,11,20H,8-10H2,1H3,(H2,21,22,23,24)/t11-/m0/s1 | | Definition date: | 2015-05-15 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine |
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 | | 4W5 | | Name: | ethyl 2H-indazole-5-carboxylate | | Formula: | C10 H10 N2 O2 | | SMILES: | c2c1cnnc1ccc2C(=O)OCC | | InChi: | InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12) | | Definition date: | 2015-06-09 | | Last modified: | 2015-12-18 | | Release date: | 2015-12-23 | | Identifier: | ethyl 2H-indazole-5-carboxylate |
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 | | 3X7 | | Name: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile | | Formula: | C23 H21 N5 | | SMILES: | N#Cc5ncc2c(c1cc(cnc1n2)c3ccc(cc3)CN4CCCCC4)c5 | | InChi: | InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27) | | Definition date: | 2014-12-03 | | Last modified: | 2015-05-29 | | Release date: | 2015-06-03 | | Identifier: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile |
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 | | A8V | | Name: | (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol | | Formula: | C16 H24 O3 | | SMILES: | OC(CCO)c2cc(OCC1CCCCC1)ccc2 | | InChi: | InChI=1S/C16H24O3/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12H2/t16-/m0/s1 | | Definition date: | 2015-04-27 | | Last modified: | 2015-05-22 | | Release date: | 2015-05-27 | | Identifier: | (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol |
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