 | | ST0 | | Name: | N-cyclopentyloxane-4-sulfonamide | | Formula: | C10 H19 N O3 S | | SMILES: | O=S(=O)(NC1CCCC1)C1CCOCC1 | | InChi: | InChI=1S/C10H19NO3S/c12-15(13,10-5-7-14-8-6-10)11-9-3-1-2-4-9/h9-11H,1-8H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-cyclopentyloxane-4-sulfonamide |
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 | | SVI | | Name: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine | | Formula: | C5 H4 N4 | | SMILES: | c1cncc2nncn12 | | InChi: | InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine |
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 | | SVU | | Name: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine | | Formula: | C7 H13 N3 | | SMILES: | CCn1ccc(CNC)n1 | | InChi: | InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine |
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 | | SW9 | | Name: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione | | Formula: | C10 H17 N O2 S | | SMILES: | O=S1(=O)CCC(CC1)N(C)C=C=CC | | InChi: | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione |
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 | | SX9 | | Name: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one | | Formula: | C15 H20 N2 O | | SMILES: | O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1 | | InChi: | InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+ | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one |
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 | | SY3 | | Name: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide | | Formula: | C13 H11 F N2 O | | SMILES: | O=C(Nc1cc(F)ccc1C)c1ccncc1 | | InChi: | InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide |
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 | | SYX | | Name: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone | | Formula: | C10 H18 N2 O2 | | SMILES: | O=C(N1CCN(C)CC1)C1CCCO1 | | InChi: | InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone |
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 | | SZX | | Name: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(Nc1ccccn1)C1COCCO1 | | InChi: | InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide |
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 | | TI6 | | Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | | Formula: | C8 H17 N O3 S | | SMILES: | CC1CCCN(C1CO)S(=O)(C)=O | | InChi: | InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
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 | | TJ0 | | Name: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one | | Formula: | C12 H11 F3 N2 O2 | | SMILES: | O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F | | InChi: | InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
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 | | TJA | | Name: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | | Formula: | C6 H10 N4 | | SMILES: | Cc1nnc2CNCCn12 | | InChi: | InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
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 | | TJL | | Name: | 4-(1,2,4-oxadiazol-5-yl)aniline | | Formula: | C8 H7 N3 O | | SMILES: | Nc1ccc(cc1)c1ncno1 | | InChi: | InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(1,2,4-oxadiazol-5-yl)aniline |
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 | | TJX | | Name: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine | | Formula: | C8 H9 N3 | | SMILES: | NCc1cc2nccn2cc1 | | InChi: | InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine |
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 | | TKI | | Name: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid | | Formula: | C10 H16 N4 O2 | | SMILES: | CCc1nc(CC)nc(n1)N(C)CC(O)=O | | InChi: | InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16) | | Synonyms: | 2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor) | | Definition date: | 2023-01-06 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid |
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 | | TKM | | Name: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid | | Formula: | C9 H12 N2 O3 | | SMILES: | O=C(O)c1ccnn1C1CCOCC1 | | InChi: | InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid |
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 | | TM0 | | Name: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine | | Formula: | C11 H13 N3 O | | SMILES: | CC(N)c1nc(Cc2ccccc2)no1 | | InChi: | InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine |
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 | | TNU | | Name: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | Cc1nc(sn1)N1CCOC(C)C1C | | InChi: | InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | | TQC | | Name: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole | | Formula: | C10 H12 N4 O | | SMILES: | Cn1ccnc1c1nc(on1)C1CCC1 | | InChi: | InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole |
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 | | TT3 | | Name: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide | | Formula: | C10 H12 F N O2 | | SMILES: | CN(C)C(=O)COc1cccc(F)c1 | | InChi: | InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide |
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 | | TU6 | | Name: | [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol | | Formula: | C11 H17 N3 O | | SMILES: | Cc1cc(nc(CO)n1)N1CCCCC1 | | InChi: | InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol |
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 | | TV9 | | Name: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide | | Formula: | C11 H14 N2 O | | SMILES: | CC(NC(=O)C1CC1)c1cccnc1 | | InChi: | InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide |
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 | | TVR | | Name: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one | | Formula: | C10 H12 F N3 O | | SMILES: | Fc1cccnc1N1CC(=O)NC(C)C1 | | InChi: | InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one |
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 | | TWC | | Name: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one | | Formula: | C6 H7 F3 N2 O | | SMILES: | FC(F)(F)C=1CC(=O)N(CC)N=1 | | InChi: | InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
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 | | TWR | | Name: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide | | Formula: | C10 H13 F N2 O2 | | SMILES: | CN(C)C(=O)COc1ccc(N)c(F)c1 | | InChi: | InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide |
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 | | TX0 | | Name: | thiophene-3-carboxylic acid | | Formula: | C5 H4 O2 S | | SMILES: | O=C(O)c1ccsc1 | | InChi: | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | thiophene-3-carboxylic acid |
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