 | | M4K | | Name: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | | Formula: | C15 H17 N3 O2 | | SMILES: | O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3 | | InChi: | InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
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 | | M4N | | Name: | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide | | Formula: | C11 H11 N3 O | | SMILES: | CNC(=O)c1[nH]nc(c1)c2ccccc2 | | InChi: | InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide |
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 | | M4Q | | Name: | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | | Formula: | C11 H13 N3 O2 S | | SMILES: | CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2 | | InChi: | InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
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 | | M4T | | Name: | ~{N}-pyridin-3-ylethanamide | | Formula: | C7 H8 N2 O | | SMILES: | CC(=O)Nc1cccnc1 | | InChi: | InChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h2-5H,1H3,(H,9,10) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-pyridin-3-ylethanamide |
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 | | M58 | | Name: | (~{R})-azanyl(pyridin-3-yl)methanethiol | | Formula: | C6 H8 N2 S | | SMILES: | N[CH](S)c1cccnc1 | | InChi: | InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (~{R})-azanyl(pyridin-3-yl)methanethiol |
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 | | M5B | | Name: | ~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide | | Formula: | C7 H7 N3 O2 S2 | | SMILES: | O=[S](=O)(Nc1[nH]ccn1)c2sccc2 | | InChi: | InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide |
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 | | M5E | | Name: | (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol | | Formula: | C11 H15 N O | | SMILES: | O[CH]([CH]1CCCN1)c2ccccc2 | | InChi: | InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol |
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 | | M5H | | Name: | 3-imidazolidin-2-yl-2~{H}-indazole | | Formula: | C10 H12 N4 | | SMILES: | C1CNC(N1)c2[nH]nc3ccccc23 | | InChi: | InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 3-imidazolidin-2-yl-2~{H}-indazole |
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 | | M5N | | Name: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one | | Formula: | C11 H16 N2 O | | SMILES: | CC(C)C1=NC(=O)N=C2CCCC[CH]12 | | InChi: | InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one |
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 | | M6H | | Name: | 2-(phenylmethyl)imidazolidine | | Formula: | C10 H14 N2 | | SMILES: | C1CNC(Cc2ccccc2)N1 | | InChi: | InChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10-12H,6-8H2 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 2-(phenylmethyl)imidazolidine |
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 | | M6N | | Name: | 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one | | Formula: | C8 H7 N3 O | | SMILES: | CC1=Nc2cnccc2C(=O)N1 | | InChi: | InChI=1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
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 | | M6W | | Name: | (3~{S})-~{N}-methylpyrrolidine-3-carboxamide | | Formula: | C6 H12 N2 O | | SMILES: | CNC(=O)[CH]1CCNC1 | | InChi: | InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (3~{S})-~{N}-methylpyrrolidine-3-carboxamide |
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 | | M6Z | | Name: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide | | Formula: | C9 H8 I N3 O | | SMILES: | CNC(=O)c1n[nH]c2ccc(I)cc12 | | InChi: | InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide |
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 | | M75 | | Name: | ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide | | Formula: | C6 H9 N3 O2 S | | SMILES: | O=[S](=O)(NC1CC1)c2c[nH]cn2 | | InChi: | InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide |
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 | | M78 | | Name: | ~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide | | Formula: | C12 H14 N2 O | | SMILES: | CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 | | InChi: | InChI=1S/C12H14N2O/c1-7-8(2)14-11-5-4-9(6-10(7)11)12(15)13-3/h4-6,14H,1-3H3,(H,13,15) | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide |
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 | | LKY | | Name: | 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide | | Formula: | C27 H31 F N4 O2 | | SMILES: | c1(c(cc(cc1CN2CC(C)N(CC2)C(C3CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C | | InChi: | InChI=1S/C27H31FN4O2/c1-18-16-31(10-11-32(18)27(34)21-7-3-4-8-21)17-23-13-24(28)14-25(19(23)2)30-26(33)22-9-5-6-20(12-22)15-29/h5-6,9,12-14,18,21H,3-4,7-8,10-11,16-17H2,1-2H3,(H,30,33)/t18-/m0/s1 | | Definition date: | 2019-02-28 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide |
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 | | LMV | | Name: | (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide | | Formula: | C24 H28 Cl2 N2 O4 S | | SMILES: | CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl | | InChi: | InChI=1S/C24H28Cl2N2O4S/c1-15(2)14-33(30,31)27-24(29)17-6-9-22-21(10-17)28(12-16-4-3-5-16)13-23(32-22)19-8-7-18(25)11-20(19)26/h6-11,15-16,23H,3-5,12-14H2,1-2H3,(H,27,29)/t23-/m1/s1 | | Definition date: | 2019-03-04 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide |
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 | | M0Q | | Name: | ~{N}-methyl-1,6-naphthyridin-4-amine | | Formula: | C9 H9 N3 | | SMILES: | CNc1ccnc2ccncc12 | | InChi: | InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methyl-1,6-naphthyridin-4-amine |
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 | | M0W | | Name: | ~{N}-methylquinazolin-4-amine | | Formula: | C9 H9 N3 | | SMILES: | CNc1ncnc2ccccc12 | | InChi: | InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methylquinazolin-4-amine |
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 | | J95 | | Name: | ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide | | Formula: | C17 H26 Cl N3 O3 S | | SMILES: | CCCCNC(=O)c1cc(c(Cl)cc1NC2CCCCC2)[S](N)(=O)=O | | InChi: | InChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24) | | Definition date: | 2019-02-12 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide |
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 | | J9Q | | Name: | 2-(1,3-oxazol-5-yl)aniline | | Formula: | C9 H8 N2 O | | SMILES: | Nc1ccccc1c2ocnc2 | | InChi: | InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2 | | Definition date: | 2019-02-12 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 2-(1,3-oxazol-5-yl)aniline |
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 | | JAW | | Name: | 1~{H}-indole-5-carboxamide | | Formula: | C9 H8 N2 O | | SMILES: | NC(=O)c1ccc2[nH]ccc2c1 | | InChi: | InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 1~{H}-indole-5-carboxamide |
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 | | JBB | | Name: | 3-(thiophen-2-ylsulfanylmethyl)benzoic acid | | Formula: | C12 H10 O2 S2 | | SMILES: | OC(=O)c1cccc(CSc2sccc2)c1 | | InChi: | InChI=1S/C12H10O2S2/c13-12(14)10-4-1-3-9(7-10)8-16-11-5-2-6-15-11/h1-7H,8H2,(H,13,14) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 3-(thiophen-2-ylsulfanylmethyl)benzoic acid |
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 | | JBN | | Name: | 1,2-oxazole-5-carboxamide | | Formula: | C4 H4 N2 O2 | | SMILES: | NC(=O)c1oncc1 | | InChi: | InChI=1S/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 1,2-oxazole-5-carboxamide |
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 | | 97T | | Name: | 2-(1,2-oxazol-5-yl)phenol | | Formula: | C9 H7 N O2 | | SMILES: | Oc1ccccc1c2oncc2 | | InChi: | InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-5-6-10-12-9/h1-6,11H | | Definition date: | 2017-04-28 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 2-(1,2-oxazol-5-yl)phenol |
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