 | | 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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 | | 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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 | | 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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 | | 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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 | | V29 | | Name: | (3R)-3-(benzylamino)oxolane-3-carboxylic acid | | Formula: | C12 H15 N O3 | | SMILES: | O=C(O)C1(NCc2ccccc2)CCOC1 | | InChi: | InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3R)-3-(benzylamino)oxolane-3-carboxylic acid |
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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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 | | V2L | | Name: | 1-(1-benzyl-1H-imidazol-2-yl)methanamine | | Formula: | C11 H13 N3 | | SMILES: | NCc1nccn1Cc1ccccc1 | | InChi: | InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(1-benzyl-1H-imidazol-2-yl)methanamine |
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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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 | | V2U | | Name: | 2-chloro-N-(3,5-dimethoxyphenyl)acetamide | | Formula: | C10 H12 Cl N O3 | | SMILES: | COc1cc(cc(OC)c1)NC(=O)CCl | | InChi: | InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-chloro-N-(3,5-dimethoxyphenyl)acetamide |
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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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 | | WD4 | | Name: | 1-cyclopropylimidazolidin-2-one | | Formula: | C6 H10 N2 O | | SMILES: | O=C1NCCN1C1CC1 | | InChi: | InChI=1S/C6H10N2O/c9-6-7-3-4-8(6)5-1-2-5/h5H,1-4H2,(H,7,9) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-cyclopropylimidazolidin-2-one |
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 | | WD8 | | Name: | methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate | | Formula: | C11 H15 N O3 S | | SMILES: | O=C(N(CC(=O)OC)C(C)C)c1ccsc1 | | InChi: | InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate |
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 | | WDC | | Name: | 2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol | | Formula: | C10 H15 Cl N2 O | | SMILES: | Clc1ccc(N)cc1CN(C)CCO | | InChi: | InChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol |
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 | | WDH | | Name: | N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide | | Formula: | C11 H18 N4 O | | SMILES: | Cc1nc(ccn1)N(CC(=O)NCC)CC | | InChi: | InChI=1S/C11H18N4O/c1-4-12-11(16)8-15(5-2)10-6-7-13-9(3)14-10/h6-7H,4-5,8H2,1-3H3,(H,12,16) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide |
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 | | V3F | | Name: | (5S)-5-methyl-5-phenylimidazolidine-2,4-dione | | Formula: | C10 H10 N2 O2 | | SMILES: | CC1(NC(=O)NC1=O)c1ccccc1 | | InChi: | InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (5S)-5-methyl-5-phenylimidazolidine-2,4-dione |
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 | | WDN | | Name: | methyl N-methyl-N-(thiophene-3-carbonyl)glycinate | | Formula: | C9 H11 N O3 S | | SMILES: | CN(CC(=O)OC)C(=O)c1ccsc1 | | InChi: | InChI=1S/C9H11NO3S/c1-10(5-8(11)13-2)9(12)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-methyl-N-(thiophene-3-carbonyl)glycinate |
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 | | WDZ | | Name: | methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate | | Formula: | C9 H14 N4 O2 | | SMILES: | COC(=O)Cn1nnnc1C1CCCC1 | | InChi: | InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate |
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 | | V40 | | Name: | (2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol | | Formula: | C12 H24 N2 O | | SMILES: | NCC1CCCCC1CN1CCCC1O | | InChi: | InChI=1S/C12H24N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h10-12,15H,1-9,13H2/t10-,11-,12-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol |
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 | | WE5 | | Name: | methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate | | Formula: | C12 H13 N O3 | | SMILES: | O=C(OC)C1CC(=O)N(C1)c1ccccc1 | | InChi: | InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate |
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 | | V4C | | Name: | N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide | | Formula: | C11 H19 N3 O2 S | | SMILES: | O=S(=O)(c1cn(C)nc1)N(CC(C)C)C1CC1 | | InChi: | InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide |
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 | | V4L | | Name: | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide | | Formula: | C14 H22 N2 O | | SMILES: | NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1 | | InChi: | InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide |
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 | | V4X | | Name: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile | | Formula: | C7 H10 N2 O S | | SMILES: | O=C(CC#N)N1CCSCC1 | | InChi: | InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile |
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 | | V5C | | Name: | (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide | | Formula: | C11 H13 N3 O S | | SMILES: | Cc1nc(/C=C/C(=O)N(C)CCC#N)cs1 | | InChi: | InChI=1S/C11H13N3OS/c1-9-13-10(8-16-9)4-5-11(15)14(2)7-3-6-12/h4-5,8H,3,7H2,1-2H3/b5-4+ | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide |
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 | | V5I | | Name: | 2-methyl-1-(2-methylphenyl)propan-2-amine | | Formula: | C11 H17 N | | SMILES: | NC(C)(C)Cc1ccccc1C | | InChi: | InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-methyl-1-(2-methylphenyl)propan-2-amine |
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 | | V5O | | Name: | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid | | Formula: | C13 H13 N O3 | | SMILES: | O=C(O)/C=C/c1ccc(cc1)N1CCCC1=O | | InChi: | InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+ | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid |
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