 | | YX6 | | Name: | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide | | Formula: | C9 H11 N3 O2 S | | SMILES: | O=C(NC1CCC(=O)NC1)c1cscn1 | | InChi: | InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide |
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 | | ZKK | | Name: | (2S)-Methylsuccinyl-CoA | | Formula: | C26 H42 N7 O19 P3 S | | SMILES: | C[CH](CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,18+,19+,20-,24+/m0/s1 | | Synonyms: | (3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid | | Definition date: | 2023-06-28 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (3~{S})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid |
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 | | YXB | | Name: | N-[(1H-indol-4-yl)methyl]ethanamine | | Formula: | C11 H14 N2 | | SMILES: | CCNCc1cccc2[NH]ccc12 | | InChi: | InChI=1S/C11H14N2/c1-2-12-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,12-13H,2,8H2,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(1H-indol-4-yl)methyl]ethanamine |
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 | | YXH | | Name: | 1-(1H-benzimidazol-2-yl)methanamine | | Formula: | C8 H9 N3 | | SMILES: | NCc1nc2ccccc2[NH]1 | | InChi: | InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-(1H-benzimidazol-2-yl)methanamine |
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 | | YXK | | Name: | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile | | Formula: | C7 H6 F3 N3 | | SMILES: | FC(F)(F)Cn1ccnc1CC#N | | InChi: | InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile |
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 | | YXO | | Name: | 1-(difluoromethyl)-1H-indol-5-amine | | Formula: | C9 H8 F2 N2 | | SMILES: | FC(F)n1ccc2cc(N)ccc21 | | InChi: | InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-(difluoromethyl)-1H-indol-5-amine |
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 | | YXU | | Name: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine | | Formula: | C8 H8 N2 O | | SMILES: | COc1ccc2[NH]ccc2n1 | | InChi: | InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine |
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 | | YXY | | Name: | 4,4-difluorocyclohexane-1-carboxamide | | Formula: | C7 H11 F2 N O | | SMILES: | FC1(F)CCC(CC1)C(N)=O | | InChi: | InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 4,4-difluorocyclohexane-1-carboxamide |
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 | | YYI | | Name: | 5-(difluoromethoxy)pyridin-2(3H)-one | | Formula: | C6 H5 F2 N O2 | | SMILES: | O=C1CC=C(OC(F)F)C=N1 | | InChi: | InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1,3,6H,2H2 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 5-(difluoromethoxy)pyridin-2(3H)-one |
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 | | YZK | | Name: | (3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine | | Formula: | C9 H9 N3 | | SMILES: | Cc1nccn1c1cnccc1 | | InChi: | InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine |
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 | | Z0I | | Name: | N-(1H-indol-7-yl)acetamide | | Formula: | C10 H10 N2 O | | SMILES: | CC(=O)Nc1cccc2cc[NH]c12 | | InChi: | InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-(1H-indol-7-yl)acetamide |
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 | | Z1L | | Name: | 1-anilinocyclopropane-1-carboxylic acid | | Formula: | C10 H11 N O2 | | SMILES: | O=C(O)C1(Nc2ccccc2)CC1 | | InChi: | InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-anilinocyclopropane-1-carboxylic acid |
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 | | Z2F | | Name: | 1,3-benzothiazole-6-sulfonamide | | Formula: | C7 H6 N2 O2 S2 | | SMILES: | NS(=O)(=O)c1ccc2ncsc2c1 | | InChi: | InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1,3-benzothiazole-6-sulfonamide |
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 | | Z2Z | | Name: | 8-(methanesulfonyl)quinoline | | Formula: | C10 H9 N O2 S | | SMILES: | CS(=O)(=O)c1cccc2cccnc12 | | InChi: | InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 8-(methanesulfonyl)quinoline |
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 | | Z3H | | Name: | N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide | | Formula: | C10 H13 N O3 S | | SMILES: | CS(=O)(=O)NC1CCOc2ccccc21 | | InChi: | InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide |
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 | | Z3O | | Name: | (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole | | Formula: | C15 H18 N2 | | SMILES: | CC1C=CN(CC2C=Nc3ccccc23)CC1 | | InChi: | InChI=1S/C15H18N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-6,8,10,12-13H,7,9,11H2,1H3/t12-,13+/m0/s1 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole |
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 | | Z4X | | Name: | 2-ethoxy-3-fluoro-N,N-dimethylbenzamide | | Formula: | C11 H14 F N O2 | | SMILES: | CCOc1c(cccc1F)C(=O)N(C)C | | InChi: | InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2-ethoxy-3-fluoro-N,N-dimethylbenzamide |
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 | | Z5C | | Name: | 5-(methoxymethyl)-1,2-oxazole-3-carboxamide | | Formula: | C6 H8 N2 O3 | | SMILES: | O=C(N)c1cc(COC)on1 | | InChi: | InChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 5-(methoxymethyl)-1,2-oxazole-3-carboxamide |
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 | | Z5Z | | Name: | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | Cc1nc(sn1)N1CC(C)OC(C)C1 | | InChi: | InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+ | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | | Z6I | | Name: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine | | Formula: | C9 H15 N3 | | SMILES: | Cc1[NH]ncc1C1CCNCC1 | | InChi: | InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12) | | Definition date: | 2023-06-23 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine |
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 | | Z7T | | Name: | 2-(cyclopentylamino)pyridine-4-carboxamide | | Formula: | C11 H15 N3 O | | SMILES: | NC(=O)c1ccnc(NC2CCCC2)c1 | | InChi: | InChI=1S/C11H15N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14) | | Definition date: | 2023-06-23 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2-(cyclopentylamino)pyridine-4-carboxamide |
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 | | VUO | | Name: | 6-oxidanyl-1,3-benzoxathiol-2-one | | Formula: | C7 H4 O3 S | | SMILES: | Oc1ccc2SC(=O)Oc2c1 | | InChi: | InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H | | Definition date: | 2023-04-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 6-oxidanyl-1,3-benzoxathiol-2-one |
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 | | W0U | | Name: | [(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid | | Formula: | C14 H22 N7 O7 P | | SMILES: | C[CH](O)[CH](N)C(=O)N[P](O)(=O)OC[CH]1C[CH](O)[CH](O1)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C14H22N7O7P/c1-6(22)9(15)13(24)20-29(25,26)27-3-7-2-8(23)14(28-7)21-5-19-10-11(16)17-4-18-12(10)21/h4-9,14,22-23H,2-3,15H2,1H3,(H2,16,17,18)(H2,20,24,25,26)/t6-,7-,8-,9-,14+/m0/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | [(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid |
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 | | W2L | | Name: | (4~{S},6~{S})-4,6-dimethyloctanoic acid | | Formula: | C10 H20 O2 | | SMILES: | CC[CH](C)C[CH](C)CCC(O)=O | | InChi: | InChI=1S/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m0/s1 | | Definition date: | 2022-07-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (4~{S},6~{S})-4,6-dimethyloctanoic acid |
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 | | WYH | | Name: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | | Formula: | C11 H12 N2 | | SMILES: | C1Cc2c(CN1)[nH]c3ccccc23 | | InChi: | InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2 | | Definition date: | 2022-07-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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