 | | VZP | | Name: | N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea | | Formula: | C9 H18 N2 O3 S | | SMILES: | N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C | | InChi: | InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea |
|
 | | VZY | | Name: | N-(3-methylbenzene-1-carbonyl)glycine | | Formula: | C10 H11 N O3 | | SMILES: | c1c(cc(cc1)C)C(NCC(O)=O)=O | | InChi: | InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(3-methylbenzene-1-carbonyl)glycine |
|
 | | T3Z | | Name: | (R)-N-(1-cyclopropylethyl)-6-methylpicolinamide | | Formula: | C12 H16 N2 O | | SMILES: | C[CH](NC(=O)c1cccc(C)n1)C2CC2 | | InChi: | InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1 | | Synonyms: | ~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide | | Definition date: | 2020-12-14 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | ~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide |
|
 | | W04 | | Name: | N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide | | Formula: | C9 H13 N3 O | | SMILES: | N(C(=O)CNC)c1cc(ccn1)C | | InChi: | InChI=1S/C9H13N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide |
|
 | | W0D | | Name: | N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide | | Formula: | C13 H11 N3 O2 | | SMILES: | n2c(CNC(=O)c1ccco1)nc3ccccc23 | | InChi: | InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide |
|
 | | W0G | | Name: | (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one | | Formula: | C11 H13 F N2 O | | SMILES: | N1(C(C(CC1)NC)=O)c2ccccc2F | | InChi: | InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one |
|
 | | W0J | | Name: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine | | Formula: | C10 H16 N4 | | SMILES: | N1(CCCC(C1)NC)c2nnccc2 | | InChi: | InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine |
|
 | | TJ4 | | Name: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid | | Formula: | C7 H8 N2 O3 | | SMILES: | O=C1NC(=C(C(=N1)C)C)C(O)=O | | InChi: | InChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12) | | Definition date: | 2020-03-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid |
|
 | | W0P | | Name: | (2R)-2-(2-fluorophenoxy)propanoic acid | | Formula: | C9 H9 F O3 | | SMILES: | c1cc(c(cc1)F)OC(C(=O)O)C | | InChi: | InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2R)-2-(2-fluorophenoxy)propanoic acid |
|
 | | W0S | | Name: | 1-(3,4,5-trimethoxyphenyl)methanamine | | Formula: | C10 H15 N O3 | | SMILES: | C(N)c1cc(c(c(c1)OC)OC)OC | | InChi: | InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-(3,4,5-trimethoxyphenyl)methanamine |
|
 | | TJD | | Name: | methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate | | Formula: | C10 H8 N2 O3 | | SMILES: | N2=C(C(=O)OC)c1c(cccc1)NC2=O | | InChi: | InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14) | | Definition date: | 2020-03-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate |
|
 | | W0V | | Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide | | Formula: | C12 H15 N3 O | | SMILES: | n1c(CNC(=O)C(C)C)nc2c1cccc2 | | InChi: | InChI=1S/C12H15N3O/c1-8(2)12(16)13-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide |
|
 | | W0Y | | Name: | N-methyl-4-sulfamoylbenzamide | | Formula: | C8 H10 N2 O3 S | | SMILES: | NS(c1ccc(cc1)C(NC)=O)(=O)=O | | InChi: | InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-methyl-4-sulfamoylbenzamide |
|
 | | TJJ | | Name: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid | | Formula: | C5 H4 N2 O3 | | SMILES: | O=C1N=CC=C(N1)C(O)=O | | InChi: | InChI=1S/C5H4N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2H,(H,8,9)(H,6,7,10) | | Definition date: | 2020-03-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid |
|
 | | TJP | | Name: | methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate | | Formula: | C6 H6 N2 O3 | | SMILES: | O=C1NC(C(=O)OC)=CC=N1 | | InChi: | InChI=1S/C6H6N2O3/c1-11-5(9)4-2-3-7-6(10)8-4/h2-3H,1H3,(H,7,8,10) | | Definition date: | 2020-03-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | methyl 2-oxo-2,3-dihydropyrimidine-4-carboxylate |
|
 | | W17 | | Name: | 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide | | Formula: | C6 H9 N3 O2 | | SMILES: | n1n(cc(C(=O)N)c1)CCO | | InChi: | InChI=1S/C6H9N3O2/c7-6(11)5-3-8-9(4-5)1-2-10/h3-4,10H,1-2H2,(H2,7,11) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide |
|
 | | TJS | | Name: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid | | Formula: | C9 H10 N2 O3 | | SMILES: | C1CCCC2=C1NC(N=C2C(O)=O)=O | | InChi: | InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14) | | Definition date: | 2020-03-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid |
|
 | | W1A | | Name: | N-[(piperidin-4-yl)methyl]methanesulfonamide | | Formula: | C7 H16 N2 O2 S | | SMILES: | N1CCC(CC1)CNS(=O)(=O)C | | InChi: | InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-[(piperidin-4-yl)methyl]methanesulfonamide |
|
 | | TJY | | Name: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid | | Formula: | C9 H6 N2 O3 | | SMILES: | O=C2N=C(C(=O)O)c1c(cccc1)N2 | | InChi: | InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14) | | Definition date: | 2020-03-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid |
|
 | | W1D | | Name: | (4-acetylphenoxy)acetic acid | | Formula: | C10 H10 O4 | | SMILES: | c1cc(ccc1OCC(O)=O)C(C)=O | | InChi: | InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (4-acetylphenoxy)acetic acid |
|
 | | W1M | | Name: | 3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid | | Formula: | C12 H11 N3 O3 | | SMILES: | n2c(C(=O)Nc1cc(ccc1)C(=O)O)ccn2C | | InChi: | InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid |
|
 | | W1P | | Name: | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one | | Formula: | C10 H10 N2 O | | SMILES: | N2(c1ccccc1)C(=O)CC(=N2)C | | InChi: | InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
|
 | | W1S | | Name: | (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide | | Formula: | C8 H11 N3 O | | SMILES: | n21CCCC(c1ncc2)C(=O)N | | InChi: | InChI=1S/C8H11N3O/c9-7(12)6-2-1-4-11-5-3-10-8(6)11/h3,5-6H,1-2,4H2,(H2,9,12)/t6-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide |
|
 | | W1V | | Name: | 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide | | Formula: | C8 H13 N3 O | | SMILES: | n1(C)nc(c(CC(N)=O)c1C)C | | InChi: | InChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide |
|
 | | W21 | | Name: | N-(cyclopentanecarbonyl)-L-alanine | | Formula: | C9 H15 N O3 | | SMILES: | C1CCCC1C(NC(C(=O)O)C)=O | | InChi: | InChI=1S/C9H15NO3/c1-6(9(12)13)10-8(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(cyclopentanecarbonyl)-L-alanine |
|
