 | | VUA | | Name: | 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine | | Formula: | C18 H24 N4 | | SMILES: | n2ccc(N1CCC(CC1)C)nc2NCCc3ccccc3 | | InChi: | InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21) | | Definition date: | 2020-09-15 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine |
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 | | VUD | | Name: | 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one | | Formula: | C19 H16 F N5 O2 | | SMILES: | C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4 | | InChi: | InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1 | | Definition date: | 2020-09-15 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one |
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 | | WPS | | Name: | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile | | Formula: | C5 H6 N4 | | SMILES: | n1nc(c(C#N)c1N)C | | InChi: | InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile |
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 | | WPV | | Name: | 1-(5-bromopyridin-3-yl)methanamine | | Formula: | C6 H7 Br N2 | | SMILES: | n1cc(cc(c1)Br)CN | | InChi: | InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-(5-bromopyridin-3-yl)methanamine |
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 | | WPY | | Name: | N-(1,3-thiazol-2-yl)acetamide | | Formula: | C5 H6 N2 O S | | SMILES: | n1c(NC(=O)C)scc1 | | InChi: | InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(1,3-thiazol-2-yl)acetamide |
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 | | WQ4 | | Name: | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile | | Formula: | C5 H5 N3 O | | SMILES: | N#Cc1c(oc(n1)C)N | | InChi: | InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile |
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 | | WQ7 | | Name: | 1-(2-aminoethyl)pyridin-2(1H)-one | | Formula: | C7 H10 N2 O | | SMILES: | NCCN1C(C=CC=C1)=O | | InChi: | InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-(2-aminoethyl)pyridin-2(1H)-one |
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 | | WQA | | Name: | 2H-pyrazolo[3,4-b]pyridin-5-amine | | Formula: | C6 H6 N4 | | SMILES: | n1c2c(cc(N)c1)cnn2 | | InChi: | InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2H-pyrazolo[3,4-b]pyridin-5-amine |
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 | | WQG | | Name: | quinazolin-4(3H)-one | | Formula: | C8 H6 N2 O | | SMILES: | N2C=Nc1c(cccc1)C2=O | | InChi: | InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | quinazolin-4(3H)-one |
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 | | WQJ | | Name: | 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine | | Formula: | C8 H10 N2 O | | SMILES: | Nc2cnc1CCOCc1c2 | | InChi: | InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine |
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 | | WQV | | Name: | N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide | | Formula: | C7 H7 Br N2 O2 | | SMILES: | N1C(=O)C(NC(=O)C)=CC(=C1)Br | | InChi: | InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide |
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 | | WQY | | Name: | 1-(quinolin-3-yl)methanamine | | Formula: | C10 H10 N2 | | SMILES: | n2c1ccccc1cc(CN)c2 | | InChi: | InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-(quinolin-3-yl)methanamine |
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 | | WRD | | Name: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol | | Formula: | C10 H13 N O | | SMILES: | NC2CCCc1c(cccc12)O | | InChi: | InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol |
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 | | WRJ | | Name: | 2H-1-benzopyran-3-carboxamide | | Formula: | C10 H9 N O2 | | SMILES: | c1cccc2c1C=C(C(=O)N)CO2 | | InChi: | InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2H-1-benzopyran-3-carboxamide |
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 | | WRM | | Name: | 2-(1H-benzimidazol-1-yl)-N-methylacetamide | | Formula: | C10 H11 N3 O | | SMILES: | n1(CC(=O)NC)cnc2ccccc12 | | InChi: | InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-(1H-benzimidazol-1-yl)-N-methylacetamide |
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 | | WRV | | Name: | N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea | | Formula: | C11 H15 F N2 O2 | | SMILES: | N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O | | InChi: | InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea |
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 | | WRY | | Name: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide | | Formula: | C12 H11 F N2 O | | SMILES: | N(C)C(=O)c2cc1ccc(F)cc1nc2C | | InChi: | InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide |
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 | | WS4 | | Name: | N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide | | Formula: | C11 H11 N3 O2 | | SMILES: | n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C | | InChi: | InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide |
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 | | WSG | | Name: | N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide | | Formula: | C12 H12 F N3 O | | SMILES: | n2(CC)ncc(NC(=O)c1ccc(cc1)F)c2 | | InChi: | InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide |
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 | | WSJ | | Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide | | Formula: | C12 H15 N3 O3 S | | SMILES: | N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C | | InChi: | InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide |
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 | | WSM | | Name: | 4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one | | Formula: | C11 H14 N2 O2 | | SMILES: | NCCCN2c1c(cccc1)OCC2=O | | InChi: | InChI=1S/C11H14N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,6-8,12H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one |
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 | | WSY | | Name: | 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid | | Formula: | C7 H11 N3 O2 | | SMILES: | n1(CCC(=O)O)c(C)nc(n1)C | | InChi: | InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12) | | Definition date: | 2020-11-05 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid |
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 | | XLP | | Name: | 1,3-benzothiazole-6-carboxylic acid | | Formula: | C8 H5 N O2 S | | SMILES: | n1csc2cc(C(O)=O)ccc12 | | InChi: | InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11) | | Definition date: | 2020-12-18 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1,3-benzothiazole-6-carboxylic acid |
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 | | XLV | | Name: | 3,4-dimethyl-1,2-oxazol-5-amine | | Formula: | C5 H8 N2 O | | SMILES: | n1oc(N)c(C)c1C | | InChi: | InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3 | | Definition date: | 2020-12-18 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 3,4-dimethyl-1,2-oxazol-5-amine |
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 | | XLY | | Name: | (3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one | | Formula: | C10 H12 N2 O | | SMILES: | N2C(c1ccccc1NCC2C)=O | | InChi: | InChI=1S/C10H12N2O/c1-7-6-11-9-5-3-2-4-8(9)10(13)12-7/h2-5,7,11H,6H2,1H3,(H,12,13) | | Definition date: | 2020-12-18 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one |
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