 | | 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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 | | 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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 | | E79 | | Name: | (3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid | | Formula: | C6 H11 N O5 | | SMILES: | C[CH](CC(O)=O)N[CH](O)C(O)=O | | InChi: | InChI=1S/C6H11NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3,5,7,10H,2H2,1H3,(H,8,9)(H,11,12)/t3-,5-/m1/s1 | | Definition date: | 2019-11-06 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | (3~{R})-3-[[(1~{R})-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid |
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 | | EXU | | Name: | 1,3,7-trimethyl-9H-purine-2,6,8-trione | | Formula: | C8 H10 N4 O3 | | SMILES: | CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O | | InChi: | InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) | | Definition date: | 2020-02-18 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 1,3,7-trimethyl-9~{H}-purine-2,6,8-trione |
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 | | J9T | | Name: | methyl 2-azanylpyridine-4-carboxylate | | Formula: | C7 H8 N2 O2 | | SMILES: | COC(=O)c1ccnc(N)c1 | | InChi: | InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | methyl 2-azanylpyridine-4-carboxylate |
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 | | J9W | | Name: | 1,3-benzoxazine-2,4-dione | | Formula: | C8 H5 N O3 | | SMILES: | O=C1NC(=O)c2ccccc2O1 | | InChi: | InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1,3-benzoxazine-2,4-dione |
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 | | JA5 | | Name: | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate | | Formula: | C9 H9 N O3 S | | SMILES: | COC(=O)c1[nH]c2sc(CO)cc2c1 | | InChi: | InChI=1S/C9H9NO3S/c1-13-9(12)7-3-5-2-6(4-11)14-8(5)10-7/h2-3,10-11H,4H2,1H3 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate |
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 | | JA8 | | Name: | 5-bromanyl-1,3-benzothiazol-2-amine | | Formula: | C7 H5 Br N2 S | | SMILES: | Nc1sc2ccc(Br)cc2n1 | | InChi: | InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 5-bromanyl-1,3-benzothiazol-2-amine |
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 | | JAB | | Name: | 1,2-oxazole-5-carbothioamide | | Formula: | C4 H4 N2 O S | | SMILES: | NC(=S)c1oncc1 | | InChi: | InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1,2-oxazole-5-carbothioamide |
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 | | JAE | | Name: | 1,3-benzothiazol-6-amine | | Formula: | C7 H6 N2 S | | SMILES: | Nc1ccc2ncsc2c1 | | InChi: | InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1,3-benzothiazol-6-amine |
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 | | JAH | | Name: | (6-phenylpyridin-3-yl)methanamine | | Formula: | C12 H12 N2 | | SMILES: | NCc1ccc(nc1)c2ccccc2 | | InChi: | InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (6-phenylpyridin-3-yl)methanamine |
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 | | JB5 | | Name: | quinoxalin-6-amine | | Formula: | C8 H7 N3 | | SMILES: | Nc1ccc2nccnc2c1 | | InChi: | InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | quinoxalin-6-amine |
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 | | JB8 | | Name: | 1~{H}-indol-6-ylboronic acid | | Formula: | C8 H8 B N O2 | | SMILES: | OB(O)c1ccc2cc[nH]c2c1 | | InChi: | InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1~{H}-indol-6-ylboronic acid |
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 | | JBE | | Name: | 3-nitropyridin-2-amine | | Formula: | C5 H5 N3 O2 | | SMILES: | Nc1ncccc1[N+]([O-])=O | | InChi: | InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 3-nitropyridin-2-amine |
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 | | JBH | | Name: | 3,4-dihydroquinazolin-4-ol | | Formula: | C8 H8 N2 O | | SMILES: | O[CH]1NC=Nc2ccccc12 | | InChi: | InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 3,4-dihydroquinazolin-4-ol |
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 | | JBK | | Name: | 2-azanyl-3-nitro-phenol | | Formula: | C6 H6 N2 O3 | | SMILES: | Nc1c(O)cccc1[N+]([O-])=O | | InChi: | InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 2-azanyl-3-nitro-phenol |
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 | | JBQ | | Name: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol | | Formula: | C8 H7 F N2 O | | SMILES: | O[CH]1NC=Nc2cccc(F)c12 | | InChi: | InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol |
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 | | JBZ | | Name: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid | | Formula: | C9 H7 N O3 S | | SMILES: | COc1ccc2nc(sc2c1)C(O)=O | | InChi: | InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12) | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid |
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 | | N6W | | Name: | benzo[b][1]benzazepine-11-carboxamide | | Formula: | C15 H12 N2 O | | SMILES: | NC(=O)N1c2ccccc2C=Cc3ccccc13 | | InChi: | InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) | | Definition date: | 2019-11-14 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | benzo[b][1]benzazepine-11-carboxamide |
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 | | QX1 | | Name: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine | | Formula: | C26 H30 N6 O2 | | SMILES: | c24c(c1ccc(c(c1)OC)OC)cnn2c(c(c3ccccc3)c(n4)NC5CCN(C)CC5)N | | InChi: | InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30) | | Definition date: | 2020-01-10 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine |
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 | | QXV | | Name: | D-methioninamide | | Formula: | C5 H12 N2 O S | | SMILES: | NC(C(N)=O)CCSC | | InChi: | InChI=1S/C5H12N2OS/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m1/s1 | | Definition date: | 2020-01-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | D-methioninamide |
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 | | Y8A | | Name: | 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline | | Formula: | C20 H19 Cl N2 O | | SMILES: | c1c2c(ccc1OC)n(c3c2CCN=C3C)Cc4ccc(cc4)Cl | | InChi: | InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3 | | Definition date: | 2019-11-29 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline |
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 | | O45 | | Name: | 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid | | Formula: | C6 H9 N O4 | | SMILES: | CC(=C)CONC(=O)C(O)=O | | InChi: | InChI=1S/C6H9NO4/c1-4(2)3-11-7-5(8)6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10) | | Definition date: | 2020-01-29 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid |
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 | | OOY | | Name: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide | | Formula: | C27 H29 N3 O4 | | SMILES: | c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5 | | InChi: | InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31) | | Definition date: | 2019-07-02 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide |
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 | | OQJ | | Name: | N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide | | Formula: | C22 H17 Cl N4 O3 S | | SMILES: | c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC | | InChi: | InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28) | | Definition date: | 2019-07-02 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide |
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