 | | K0A | | Name: | (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone | | Formula: | C10 H14 N2 O S | | SMILES: | N1(CCCC1)C(=O)c2c(sc(n2)C)C | | InChi: | InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone |
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 | | K0D | | Name: | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone | | Formula: | C9 H13 N3 O2 S | | SMILES: | n2cc(C(N1C(C)COC(C)C1)=O)ns2 | | InChi: | InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
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 | | K0G | | Name: | N-phenyl-N'-pyridin-3-ylurea | | Formula: | C12 H11 N3 O | | SMILES: | N(c1cccnc1)C(Nc2ccccc2)=O | | InChi: | InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-phenyl-N'-pyridin-3-ylurea |
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 | | K0J | | Name: | N-ethyl-1H-1,2,3-triazole-4-carboxamide | | Formula: | C5 H8 N4 O | | SMILES: | n1nnc(c1)C(NCC)=O | | InChi: | InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-ethyl-1H-1,2,3-triazole-4-carboxamide |
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 | | K0M | | Name: | 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide | | Formula: | C9 H10 N4 O2 | | SMILES: | N(c1nn(cc1)C)C(c2onc(C)c2)=O | | InChi: | InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide |
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 | | K0P | | Name: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide | | Formula: | C12 H14 N4 O | | SMILES: | N(Cc1cnn(c1)CC)C(c2cnccc2)=O | | InChi: | InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide |
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 | | K0V | | Name: | methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate | | Formula: | C12 H22 N2 O3 | | SMILES: | N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O | | InChi: | InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate |
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 | | K0Y | | Name: | methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate | | Formula: | C8 H10 N2 O4 | | SMILES: | n1c(C(NCC(OC)=O)=O)cc(C)o1 | | InChi: | InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate |
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 | | K1A | | Name: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one | | Formula: | C9 H11 N3 O2 S | | SMILES: | N1(C(SC(=N1)C)=O)Cc2c(C)noc2C | | InChi: | InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one |
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 | | K1D | | Name: | 6-(azetidin-1-yl)-9H-purine | | Formula: | C8 H9 N5 | | SMILES: | n2cnc1ncnc1c2N3CCC3 | | InChi: | InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 6-(azetidin-1-yl)-9H-purine |
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 | | K1G | | Name: | N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C10 H15 N5 | | SMILES: | n1cnc2n(C)ncc2c1N(C)C(C)C | | InChi: | InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | K1J | | Name: | (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | n1c(snc1C)N2C(C)C(C)OCC2 | | 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: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | | K1S | | Name: | N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Formula: | C10 H15 N5 | | SMILES: | n1c(cc(n2ncnc12)N(CC)CC)C | | InChi: | InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | K1V | | Name: | (3R)-1-acetylpiperidine-3-carboxamide | | Formula: | C8 H14 N2 O2 | | SMILES: | NC(C1CCCN(C1)C(C)=O)=O | | InChi: | InChI=1S/C8H14N2O2/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)/t7-/m1/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (3R)-1-acetylpiperidine-3-carboxamide |
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 | | K1Y | | Name: | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate | | Formula: | C12 H12 N2 O2 S | | SMILES: | n1c(C)sc(c1c2ccccc2)NC(OC)=O | | InChi: | InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate |
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 | | K24 | | Name: | N,2-dimethyl-1,3-thiazole-5-carboxamide | | Formula: | C6 H8 N2 O S | | SMILES: | n1cc(C(NC)=O)sc1C | | InChi: | InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N,2-dimethyl-1,3-thiazole-5-carboxamide |
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 | | K2G | | Name: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide | | Formula: | C8 H10 Cl N3 O | | SMILES: | n1c(c(cnc1C(C)C)Cl)C(=O)N | | InChi: | InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide |
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 | | K2M | | Name: | 4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C10 H13 N3 O3 | | SMILES: | N2(CCN(C(=O)c1occc1)CC2)C(N)=O | | InChi: | InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | K2P | | Name: | 2-(trifluoromethoxy)benzoic acid | | Formula: | C8 H5 F3 O3 | | SMILES: | c1ccc(c(c1)OC(F)(F)F)C(O)=O | | InChi: | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 2-(trifluoromethoxy)benzoic acid |
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 | | K2S | | Name: | N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide | | Formula: | C7 H13 N3 O2 S | | SMILES: | n1nc(C)c(c1C)S(N(C)C)(=O)=O | | InChi: | InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide |
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 | | K2V | | Name: | (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine | | Formula: | C12 H13 N3 | | SMILES: | n2cc(c1ccc(cc1)C(N)C)cnc2 | | InChi: | InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m1/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine |
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 | | K31 | | Name: | 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline | | Formula: | C11 H13 N3 | | SMILES: | n2nc(c(c1ccccc1N)c2C)C | | InChi: | InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline |
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 | | K3A | | Name: | N-(5-methyl-1H-pyrazol-3-yl)acetamide | | Formula: | C6 H9 N3 O | | SMILES: | n1nc(NC(C)=O)cc1C | | InChi: | InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-(5-methyl-1H-pyrazol-3-yl)acetamide |
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 | | K3D | | Name: | 4-acetyl-N-ethylpiperazine-1-carboxamide | | Formula: | C9 H17 N3 O2 | | SMILES: | N1(CCN(CC1)C(=O)C)C(NCC)=O | | InChi: | InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-acetyl-N-ethylpiperazine-1-carboxamide |
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 | | K3J | | Name: | N-ethyl-6-methylpyridazin-3-amine | | Formula: | C7 H11 N3 | | SMILES: | n1nc(NCC)ccc1C | | InChi: | InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-ethyl-6-methylpyridazin-3-amine |
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