 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | W24 | | Name: | (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide | | Formula: | C9 H18 N2 O3 S | | SMILES: | N1(CCCC(C1C)C(NC)=O)S(C)(=O)=O | | InChi: | InChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide |
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 | | W27 | | Name: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one | | Formula: | C12 H14 N2 O | | SMILES: | n1cccc2c1CC3CCC2N3C(=O)C | | InChi: | InChI=1S/C12H14N2O/c1-8(15)14-9-4-5-12(14)10-3-2-6-13-11(10)7-9/h2-3,6,9,12H,4-5,7H2,1H3/t9-,12+/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one |
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 | | W2A | | Name: | (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile | | Formula: | C8 H14 N2 O2 S | | SMILES: | N#CC1CCCN(C1C)S(=O)(C)=O | | InChi: | InChI=1S/C8H14N2O2S/c1-7-8(6-9)4-3-5-10(7)13(2,11)12/h7-8H,3-5H2,1-2H3/t7-,8+/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile |
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 | | W2G | | Name: | (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid | | Formula: | C10 H12 O2 S | | SMILES: | C2C(c1ccsc1)C(C(O)=O)CC2 | | InChi: | InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid |
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 | | W2J | | Name: | [(3R,5R)-5-methylpiperidin-3-yl]methanol | | Formula: | C7 H15 N O | | SMILES: | C1(CC(CO)CNC1)C | | InChi: | InChI=1S/C7H15NO/c1-6-2-7(5-9)4-8-3-6/h6-9H,2-5H2,1H3/t6-,7-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | [(3R,5R)-5-methylpiperidin-3-yl]methanol |
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 | | W2M | | Name: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | | Formula: | C12 H14 N2 O | | SMILES: | N3C2(Cc1c(cccc1)NC2=O)CCC3 | | InChi: | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
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 | | W2S | | Name: | (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid | | Formula: | C12 H14 O3 | | SMILES: | c1ccc(c(c1)C2C(C(=O)O)COC2)C | | InChi: | InChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10-6-15-7-11(10)12(13)14/h2-5,10-11H,6-7H2,1H3,(H,13,14)/t10-,11-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid |
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 | | W2V | | Name: | (3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid | | Formula: | C13 H16 O4 | | SMILES: | c2c(C1CCOCC1C(O)=O)cc(cc2)OC | | InChi: | InChI=1S/C13H16O4/c1-16-10-4-2-3-9(7-10)11-5-6-17-8-12(11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid |
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 | | W2Y | | Name: | (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide | | Formula: | C8 H16 N2 O3 S | | SMILES: | NC(C1CCCN(S(C)(=O)=O)C1C)=O | | InChi: | InChI=1S/C8H16N2O3S/c1-6-7(8(9)11)4-3-5-10(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide |
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 | | W34 | | Name: | (3R,4S)-4-(3-methoxyphenyl)oxan-3-amine | | Formula: | C12 H17 N O2 | | SMILES: | C1(C(N)COCC1)c2cccc(c2)OC | | InChi: | InChI=1S/C12H17NO2/c1-14-10-4-2-3-9(7-10)11-5-6-15-8-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3/t11-,12-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3R,4S)-4-(3-methoxyphenyl)oxan-3-amine |
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 | | W3D | | Name: | (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid | | Formula: | C7 H6 Br N O3 | | SMILES: | C1=CN(C(C=C1Br)=O)CC(=O)O | | InChi: | InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid |
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 | | W3M | | Name: | 1H-imidazole-5-carbonitrile | | Formula: | C4 H3 N3 | | SMILES: | n1cncc1C#N | | InChi: | InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1H-imidazole-5-carbonitrile |
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