 | | WBQ | | Name: | 6-(2-methoxyanilino)-6-oxohexanoic acid | | Formula: | C13 H17 N O4 | | SMILES: | COc1ccccc1NC(=O)CCCCC(=O)O | | InChi: | InChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 6-(2-methoxyanilino)-6-oxohexanoic acid |
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 | | VVF | | Name: | 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide | | Formula: | C10 H7 F3 N2 O | | SMILES: | O=C(Nc1cc(ccc1)C(F)(F)F)CC#N | | InChi: | InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide |
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 | | VGU | | Name: | N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide | | Formula: | C9 H8 N2 O3 | | SMILES: | O=C(/N=C/C(=O)NO)c1ccccc1 | | InChi: | InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+ | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide |
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 | | WBX | | Name: | methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate | | Formula: | C10 H15 N3 O2 S | | SMILES: | O=C(OC)CN1CCN(CC1)c1nccs1 | | InChi: | InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate |
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 | | V0X | | Name: | (3R)-2,3-dihydro-1-benzofuran-3-amine | | Formula: | C8 H9 N O | | SMILES: | NC1COc2ccccc21 | | InChi: | InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2/t7-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3R)-2,3-dihydro-1-benzofuran-3-amine |
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 | | VVK | | Name: | N-(2-methoxyphenyl)-2-methyl-L-alanine | | Formula: | C11 H15 N O3 | | SMILES: | COc1ccccc1NC(C)(C)C(=O)O | | InChi: | InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-methoxyphenyl)-2-methyl-L-alanine |
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 | | WC2 | | Name: | 6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine | | Formula: | C8 H12 Cl N3 O | | SMILES: | Clc1cc(NCCCOC)ncn1 | | InChi: | InChI=1S/C8H12ClN3O/c1-13-4-2-3-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine |
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 | | WC6 | | Name: | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one | | Formula: | C10 H8 F N3 O | | SMILES: | O=C(Cn1cncn1)c1cccc(F)c1 | | InChi: | InChI=1S/C10H8FN3O/c11-9-3-1-2-8(4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one |
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 | | VVR | | Name: | 3-phenoxypropanoic acid | | Formula: | C9 H10 O3 | | SMILES: | O=C(O)CCOc1ccccc1 | | InChi: | InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-phenoxypropanoic acid |
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 | | T0U | | Name: | 4,4'-methylenediphenol | | Formula: | C13 H12 O2 | | SMILES: | Oc1ccc(Cc2ccc(O)cc2)cc1 | | InChi: | InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2 | | Synonyms: | Bisphenol F | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4,4'-methylenediphenol |
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 | | WCB | | Name: | 1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one | | Formula: | C11 H15 N O2 S | | SMILES: | O=C(Cc1ccsc1)N1CC(C)OCC1 | | InChi: | InChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3/t9-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one |
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 | | VH9 | | Name: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol | | Formula: | C11 H16 F N O | | SMILES: | OC(CNC(C)C)c1ccc(F)cc1 | | InChi: | InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol |
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 | | WCI | | Name: | N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide | | Formula: | C11 H9 Cl2 N3 O | | SMILES: | O=C(Nc1ccc(Cl)c(Cl)c1)Cn1cccn1 | | InChi: | InChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide |
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 | | VW3 | | Name: | N-hydroxy-3-phenoxypropanamide | | Formula: | C9 H11 N O3 | | SMILES: | ONC(=O)CCOc1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-hydroxy-3-phenoxypropanamide |
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 | | V1I | | Name: | N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea | | Formula: | C10 H16 N2 O | | SMILES: | O=C(NC1CC1)N(CC=C)C1CC1 | | InChi: | InChI=1S/C10H16N2O/c1-2-7-12(9-5-6-9)10(13)11-8-3-4-8/h2,8-9H,1,3-7H2,(H,11,13) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea |
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 | | WTN | | Name: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide | | Formula: | C20 H25 N5 O4 S | | SMILES: | O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC | | InChi: | InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1 | | Definition date: | 2022-10-18 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide |
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 | | VW8 | | Name: | (1E)-N-hydroxy(phenoxy)ethanimidamide | | Formula: | C8 H10 N2 O2 | | SMILES: | N=C(COc1ccccc1)NO | | InChi: | InChI=1S/C8H10N2O2/c9-8(10-11)6-12-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1E)-N-hydroxy(phenoxy)ethanimidamide |
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 | | VWC | | Name: | 4-(2-methylpropoxy)benzohydrazide | | Formula: | C11 H16 N2 O2 | | SMILES: | NNC(=O)c1ccc(OCC(C)C)cc1 | | InChi: | InChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(2-methylpropoxy)benzohydrazide |
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 | | S7X | | Name: | 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide | | Formula: | C22 H21 Cl F N5 O3 | | SMILES: | Clc1cccc(CNC(=O)C2CCCN2C(=O)Cn2nc(c3ccccc32)C(N)=O)c1F | | InChi: | InChI=1S/C22H21ClFN5O3/c23-15-7-3-5-13(19(15)24)11-26-22(32)17-9-4-10-28(17)18(30)12-29-16-8-2-1-6-14(16)20(27-29)21(25)31/h1-3,5-8,17H,4,9-12H2,(H2,25,31)(H,26,32)/t17-/m0/s1 | | Definition date: | 2022-06-24 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide |
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 | | WCT | | Name: | 3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide | | Formula: | C9 H11 F3 N2 O3 | | SMILES: | O=C(NCCC(O)C(F)(F)F)c1cc(C)no1 | | InChi: | InChI=1S/C9H11F3N2O3/c1-5-4-6(17-14-5)8(16)13-3-2-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16)/t7-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide |
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 | | VHO | | Name: | N-cyclopropyl-2-(3-fluorophenoxy)acetamide | | Formula: | C11 H12 F N O2 | | SMILES: | O=C(COc1cccc(F)c1)NC1CC1 | | InChi: | InChI=1S/C11H12FNO2/c12-8-2-1-3-10(6-8)15-7-11(14)13-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-cyclopropyl-2-(3-fluorophenoxy)acetamide |
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 | | V1U | | Name: | 2-(2-methoxyethoxy)benzoic acid | | Formula: | C10 H12 O4 | | SMILES: | O=C(O)c1ccccc1OCCOC | | InChi: | InChI=1S/C10H12O4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-(2-methoxyethoxy)benzoic acid |
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 | | VWH | | Name: | 2-[(cyclopentylamino)methyl]-6-methoxyphenol | | Formula: | C13 H19 N O2 | | SMILES: | COc1cccc(CNC2CCCC2)c1O | | InChi: | InChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(cyclopentylamino)methyl]-6-methoxyphenol |
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 | | T1I | | Name: | (1P)-[1,1'-biphenyl]-3,3'-diol | | Formula: | C12 H10 O2 | | SMILES: | Oc1cc(ccc1)c1cc(O)ccc1 | | InChi: | InChI=1S/C12H10O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8,13-14H | | Synonyms: | 3,3'-Biphenol | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1P)-[1,1'-biphenyl]-3,3'-diol |
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 | | WD0 | | Name: | (3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide | | Formula: | C11 H16 N2 O2 S | | SMILES: | COCCNC(=O)C1C=CC2NCSC2=C1 | | InChi: | InChI=1S/C11H16N2O2S/c1-15-5-4-12-11(14)8-2-3-9-10(6-8)16-7-13-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,12,14)/t8-,9+/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide |
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