 | | 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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 | | XM4 | | Name: | N-(4-chloro-2-methylphenyl)acetamide | | Formula: | C9 H10 Cl N O | | SMILES: | N(c1ccc(cc1C)Cl)C(C)=O | | InChi: | InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12) | | Definition date: | 2020-12-18 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(4-chloro-2-methylphenyl)acetamide |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | W0A | | Name: | N-[(1H-benzimidazol-2-yl)methyl]butanamide | | Formula: | C12 H15 N3 O | | SMILES: | n1c(CNC(=O)CCC)nc2c1cccc2 | | InChi: | InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(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]butanamide |
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 | | 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 |
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 | | 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 |
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 | | 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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 | | NW8 | | Name: | 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine | | Formula: | C19 H13 Cl N2 | | SMILES: | Clc1ccc(cc1)c2cccn3cc(nc23)c4ccccc4 | | InChi: | InChI=1S/C19H13ClN2/c20-16-10-8-14(9-11-16)17-7-4-12-22-13-18(21-19(17)22)15-5-2-1-3-6-15/h1-13H | | Definition date: | 2019-12-20 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine |
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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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 | | 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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 | | W1J | | Name: | N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide | | Formula: | C9 H11 N5 O2 | | SMILES: | n2nc(NC(=O)c1ccco1)nn2CCC | | InChi: | InChI=1S/C9H11N5O2/c1-2-5-14-12-9(11-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,12,15) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide |
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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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 | | 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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 | | W1Y | | Name: | N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine | | Formula: | C11 H13 N3 | | SMILES: | n1n(cc(CNC)c1)c2ccccc2 | | InChi: | InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine |
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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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 | | 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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 | | ODQ | | Name: | (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione | | Formula: | C14 H18 N2 O2 | | SMILES: | CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O | | InChi: | InChI=1S/C14H18N2O2/c1-4-9-14(2)13(18)15-11-8-6-5-7-10(11)12(17)16(14)3/h5-8H,4,9H2,1-3H3,(H,15,18)/t14-/m1/s1 | | Definition date: | 2020-02-27 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
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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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