 | | TCA | | Name: | PHENYLETHYLENECARBOXYLIC ACID | | Formula: | C9 H8 O2 | | SMILES: | O=C(O)C=Cc1ccccc1 | | InChi: | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ | | Definition date: | 1999-07-08 | | Last modified: | 2025-02-28 | | Identifier: | (2E)-3-phenylprop-2-enoic acid |
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 | | ED6 | | Name: | 6-deoxy-1-O-phosphono-beta-L-galactopyranose | | Formula: | C6 H13 O8 P | | SMILES: | OP(O)(OC1OC(C)C(O)C(O)C1O)=O | | InChi: | InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1 | | Definition date: | 2019-12-11 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 6-deoxy-1-O-phosphono-beta-L-galactopyranose |
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 | | WKO | | Name: | 2-O-acetyl-beta-D-xylopyranose | | Formula: | C7 H12 O6 | | SMILES: | OC1OCC(O)C(O)C1OC(C)=O | | InChi: | InChI=1S/C7H12O6/c1-3(8)13-6-5(10)4(9)2-12-7(6)11/h4-7,9-11H,2H2,1H3/t4-,5+,6-,7-/m1/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2025-02-24 | | Release date: | 2025-02-24 | | Identifier: | 2-O-acetyl-beta-D-xylopyranose |
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 | | WKT | | Name: | 3-O-acetyl-beta-D-xylopyranose | | Formula: | C7 H12 O6 | | SMILES: | OC1C(OC(C)=O)C(O)COC1O | | InChi: | InChI=1S/C7H12O6/c1-3(8)13-6-4(9)2-12-7(11)5(6)10/h4-7,9-11H,2H2,1H3/t4-,5-,6+,7-/m1/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2025-02-24 | | Release date: | 2025-02-24 | | Identifier: | 3-O-acetyl-beta-D-xylopyranose |
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 | | WL2 | | Name: | (1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol | | Formula: | C10 H14 O4 | | SMILES: | Oc1ccc(cc1OC)C(O)CCO | | InChi: | InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m0/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2025-02-24 | | Release date: | 2025-02-24 | | Identifier: | (1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol |
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 | | WL8 | | Name: | (1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol | | Formula: | C10 H14 O4 | | SMILES: | Oc1ccc(cc1OC)C(O)CCO | | InChi: | InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m1/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2025-02-24 | | Release date: | 2025-02-24 | | Identifier: | (1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol |
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 | | WLO | | Name: | (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol | | Formula: | C11 H16 O5 | | SMILES: | COc1cc(cc(OC)c1O)C(O)CCO | | InChi: | InChI=1S/C11H16O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,8,12-14H,3-4H2,1-2H3/t8-/m0/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2025-02-24 | | Release date: | 2025-02-24 | | Identifier: | (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol |
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 | | A1BNZ | | Name: | (3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide | | Formula: | C21 H23 F N2 O2 | | SMILES: | O=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C21H23FN2O2/c22-18-10-8-15(9-11-18)13-19(16-5-2-1-3-6-16)21(26)24-12-4-7-17(14-24)20(23)25/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H2,23,25)/t17-,19-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide |
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 | | A1BO8 | | Name: | (3S)-1-[(2S)-2-(methoxymethyl)oxane-2-carbonyl]piperidine-3-carboxamide | | Formula: | C14 H24 N2 O4 | | SMILES: | O=C(N1CCCC(C1)C(N)=O)C1(COC)CCCCO1 | | InChi: | InChI=1S/C14H24N2O4/c1-19-10-14(6-2-3-8-20-14)13(18)16-7-4-5-11(9-16)12(15)17/h11H,2-10H2,1H3,(H2,15,17)/t11-,14-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2S)-2-(methoxymethyl)oxane-2-carbonyl]piperidine-3-carboxamide |
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 | | A1BOB | | Name: | (3S)-1-[(3-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide | | Formula: | C14 H19 N3 O2 | | SMILES: | O=C(Cc1ccncc1C)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C14H19N3O2/c1-10-8-16-5-4-11(10)7-13(18)17-6-2-3-12(9-17)14(15)19/h4-5,8,12H,2-3,6-7,9H2,1H3,(H2,15,19)/t12-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(3-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide |
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 | | A1BOE | | Name: | (3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide | | Formula: | C14 H18 N2 O3 | | SMILES: | NC(=O)C1CCC(=O)N(Cc2ccccc2OC)C1 | | InChi: | InChI=1S/C14H18N2O3/c1-19-12-5-3-2-4-10(12)8-16-9-11(14(15)18)6-7-13(16)17/h2-5,11H,6-9H2,1H3,(H2,15,18)/t11-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide |
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 | | A1BOF | | Name: | (3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide | | Formula: | C17 H20 N4 O2 | | SMILES: | O=C(C(c1ccccc1)n1cccn1)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide |
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 | | A1BOQ | | Name: | (3S)-1-[(3-cyano-2-methoxyphenyl)acetyl]piperidine-3-carboxamide | | Formula: | C16 H19 N3 O3 | | SMILES: | O=C(Cc1cccc(C#N)c1OC)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C16H19N3O3/c1-22-15-11(4-2-5-12(15)9-17)8-14(20)19-7-3-6-13(10-19)16(18)21/h2,4-5,13H,3,6-8,10H2,1H3,(H2,18,21)/t13-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(3-cyano-2-methoxyphenyl)acetyl]piperidine-3-carboxamide |
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 | | A1BOR | | Name: | (3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide | | Formula: | C14 H16 N2 O4 | | SMILES: | NC(=O)C1CCC(=O)N(C1)Cc1cccc2OCOc12 | | InChi: | InChI=1S/C14H16N2O4/c15-14(18)10-4-5-12(17)16(7-10)6-9-2-1-3-11-13(9)20-8-19-11/h1-3,10H,4-8H2,(H2,15,18)/t10-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide |
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 | | A1BOU | | Name: | (3S)-N~1~-(2-chloro-6-methoxyphenyl)piperidine-1,3-dicarboxamide | | Formula: | C14 H18 Cl N3 O3 | | SMILES: | O=C(Nc1c(OC)cccc1Cl)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(15)12(11)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-N~1~-(2-chloro-6-methoxyphenyl)piperidine-1,3-dicarboxamide |
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 | | A1BOV | | Name: | (3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide | | Formula: | C14 H18 Cl N3 O3 | | SMILES: | O=C(Nc1cccc(OC)c1Cl)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(12(11)15)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide |
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 | | A1BOY | | Name: | (3S)-1-[(2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide | | Formula: | C14 H19 N3 O3 | | SMILES: | O=C(Cc1cccnc1OC)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C14H19N3O3/c1-20-14-10(4-2-6-16-14)8-12(18)17-7-3-5-11(9-17)13(15)19/h2,4,6,11H,3,5,7-9H2,1H3,(H2,15,19)/t11-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide |
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 | | A1BOZ | | Name: | (3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide | | Formula: | C15 H20 N2 O2 | | SMILES: | O=C(Cc1cccc(C)c1)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C15H20N2O2/c1-11-4-2-5-12(8-11)9-14(18)17-7-3-6-13(10-17)15(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)/t13-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide |
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 | | A1BPA | | Name: | 1,3-dimethyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-6-carboxamide | | Formula: | C15 H16 N4 O2 | | SMILES: | Cc1nn(C)c2cc(ccc12)C(=O)NCCc1cocn1 | | InChi: | InChI=1S/C15H16N4O2/c1-10-13-4-3-11(7-14(13)19(2)18-10)15(20)16-6-5-12-8-21-9-17-12/h3-4,7-9H,5-6H2,1-2H3,(H,16,20) | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | 1,3-dimethyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-6-carboxamide |
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 | | A1BPB | | Name: | (3S)-1-{[3-bromo-2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide | | Formula: | C15 H19 Br N2 O2 S | | SMILES: | O=C(Cc1cccc(Br)c1SC)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C15H19BrN2O2S/c1-21-14-10(4-2-6-12(14)16)8-13(19)18-7-3-5-11(9-18)15(17)20/h2,4,6,11H,3,5,7-9H2,1H3,(H2,17,20)/t11-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-{[3-bromo-2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
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 | | A1BPE | | Name: | (3S)-1-[(2R)-2,4-diphenylbutanoyl]piperidine-3-carboxamide | | Formula: | C22 H26 N2 O2 | | SMILES: | O=C(C(CCc1ccccc1)c1ccccc1)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C22H26N2O2/c23-21(25)19-12-7-15-24(16-19)22(26)20(18-10-5-2-6-11-18)14-13-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2,(H2,23,25)/t19-,20+/m0/s1 | | Definition date: | 2025-01-13 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2R)-2,4-diphenylbutanoyl]piperidine-3-carboxamide |
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 | | A1BPF | | Name: | (3S)-1-[1-(furan-3-yl)cyclobutane-1-carbonyl]piperidine-3-carboxamide | | Formula: | C15 H20 N2 O3 | | SMILES: | NC(=O)C1CCCN(C1)C(=O)C1(CCC1)c1ccoc1 | | InChi: | InChI=1S/C15H20N2O3/c16-13(18)11-3-1-7-17(9-11)14(19)15(5-2-6-15)12-4-8-20-10-12/h4,8,10-11H,1-3,5-7,9H2,(H2,16,18)/t11-/m0/s1 | | Definition date: | 2025-01-13 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[1-(furan-3-yl)cyclobutane-1-carbonyl]piperidine-3-carboxamide |
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 | | A1BPI | | Name: | (3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]pyrrolidine-3-carboxamide | | Formula: | C15 H18 N4 O2 | | SMILES: | NC(=O)C1CCN(C1)C(=O)Cc1cccc2nn(C)cc12 | | InChi: | InChI=1S/C15H18N4O2/c1-18-9-12-10(3-2-4-13(12)17-18)7-14(20)19-6-5-11(8-19)15(16)21/h2-4,9,11H,5-8H2,1H3,(H2,16,21)/t11-/m0/s1 | | Definition date: | 2025-01-13 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]pyrrolidine-3-carboxamide |
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 | | A1BPR | | Name: | (3S)-1-[(2,1,3-benzoxadiazol-4-yl)acetyl]piperidine-3-carboxamide | | Formula: | C14 H16 N4 O3 | | SMILES: | NC(=O)C1CCCN(C1)C(=O)Cc1cccc2nonc12 | | InChi: | InChI=1S/C14H16N4O3/c15-14(20)10-4-2-6-18(8-10)12(19)7-9-3-1-5-11-13(9)17-21-16-11/h1,3,5,10H,2,4,6-8H2,(H2,15,20)/t10-/m0/s1 | | Definition date: | 2025-01-13 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(2,1,3-benzoxadiazol-4-yl)acetyl]piperidine-3-carboxamide |
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 | | A1BPU | | Name: | (3S,4R)-1-[(2-methoxyphenyl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide | | Formula: | C15 H17 F3 N2 O3 | | SMILES: | FC(F)(F)C1CN(CC1C(N)=O)C(=O)Cc1ccccc1OC | | InChi: | InChI=1S/C15H17F3N2O3/c1-23-12-5-3-2-4-9(12)6-13(21)20-7-10(14(19)22)11(8-20)15(16,17)18/h2-5,10-11H,6-8H2,1H3,(H2,19,22)/t10-,11+/m1/s1 | | Definition date: | 2025-01-13 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S,4R)-1-[(2-methoxyphenyl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide |
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