 | | B0E | | Name: | 1,3-bis(oxidanyl)benzo[c]chromen-6-one | | Formula: | C13 H8 O4 | | SMILES: | Oc1cc(O)c2c(OC(=O)c3ccccc23)c1 | | InChi: | InChI=1S/C13H8O4/c14-7-5-10(15)12-8-3-1-2-4-9(8)13(16)17-11(12)6-7/h1-6,14-15H | | Definition date: | 2017-08-31 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1,3-bis(oxidanyl)benzo[c]chromen-6-one |
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 | | JGS | | Name: | 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid | | Formula: | C11 H8 N2 O4 | | SMILES: | c1(oncc1)C(Nc2cc(C(O)=O)ccc2)=O | | InChi: | InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid |
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 | | JGV | | Name: | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone | | Formula: | C11 H13 N3 O2 S | | SMILES: | C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3 | | InChi: | InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
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 | | JGY | | Name: | 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide | | Formula: | C10 H15 N3 O2 | | SMILES: | C(C1CCCO1)NC(c2ccn(C)n2)=O | | InChi: | InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m0/s1 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide |
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 | | B0N | | Name: | [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol | | Formula: | C15 H15 N3 O | | SMILES: | Cn1nnc2ccc(Cc3cccc(CO)c3)cc12 | | InChi: | InChI=1S/C15H15N3O/c1-18-15-9-12(5-6-14(15)16-17-18)7-11-3-2-4-13(8-11)10-19/h2-6,8-9,19H,7,10H2,1H3 | | Definition date: | 2017-09-04 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol |
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 | | B0Q | | Name: | ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide | | Formula: | C18 H16 N6 O | | SMILES: | Cn1nnc2ccc(NC(=O)c3nccn3Cc4ccccc4)cc12 | | InChi: | InChI=1S/C18H16N6O/c1-23-16-11-14(7-8-15(16)21-22-23)20-18(25)17-19-9-10-24(17)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,25) | | Definition date: | 2017-09-04 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide |
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 | | JH4 | | Name: | N-methylpyrimidin-2-amine | | Formula: | C5 H7 N3 | | SMILES: | CNc1ncccn1 | | InChi: | InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-methylpyrimidin-2-amine |
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 | | JH7 | | Name: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one | | Formula: | C10 H11 N3 O | | SMILES: | c2c(NC=1N(C)NC(C=1)=O)cccc2 | | InChi: | InChI=1S/C10H11N3O/c1-13-9(7-10(14)12-13)11-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,14) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one |
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 | | JHA | | Name: | 3-chloro-4-(4-methylpiperidin-1-yl)aniline | | Formula: | C12 H17 Cl N2 | | SMILES: | c1cc(c(cc1N)Cl)N2CCC(C)CC2 | | InChi: | InChI=1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-chloro-4-(4-methylpiperidin-1-yl)aniline |
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 | | JHD | | Name: | 1-(3,4-dimethoxyphenyl)methanamine | | Formula: | C9 H13 N O2 | | SMILES: | COc1c(OC)ccc(CN)c1 | | InChi: | InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-(3,4-dimethoxyphenyl)methanamine |
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 | | JHJ | | Name: | N-(4-methoxyphenyl)-N'-pyridin-4-ylurea | | Formula: | C13 H13 N3 O2 | | SMILES: | C(=O)(Nc1ccncc1)Nc2ccc(cc2)OC | | InChi: | InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-(4-methoxyphenyl)-N'-pyridin-4-ylurea |
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 | | JHP | | Name: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide | | Formula: | C10 H14 Cl N3 O | | SMILES: | C2(NC(c1c(cn(C)n1)Cl)=O)CCCC2 | | InChi: | InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide |
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 | | JHS | | Name: | N-[(4-phenyloxan-4-yl)methyl]acetamide | | Formula: | C14 H19 N O2 | | SMILES: | C1OCCC(CNC(C)=O)(C1)c2ccccc2 | | InChi: | InChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(4-phenyloxan-4-yl)methyl]acetamide |
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 | | JHV | | Name: | 4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine | | Formula: | C11 H10 Cl N3 | | SMILES: | c1(ccncc1)Nc2ccc(cc2N)Cl | | InChi: | InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine |
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 | | JJ4 | | Name: | 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide | | Formula: | C12 H18 N2 O S | | SMILES: | C(C(Nc1ncc(C)s1)=O)CC2CCCC2 | | InChi: | InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide |
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 | | JJ7 | | Name: | 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one | | Formula: | C10 H20 N2 O2 | | SMILES: | CC(N1CCC(CC1)NCCOC)=O | | InChi: | InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one |
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 | | JJG | | Name: | 4-[2-(phenylsulfanyl)ethyl]morpholine | | Formula: | C12 H17 N O S | | SMILES: | C1COCCN1CCSc2ccccc2 | | InChi: | InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-[2-(phenylsulfanyl)ethyl]morpholine |
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 | | JJM | | Name: | 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C13 H13 N5 | | SMILES: | c32c(Nc1cccc(C)c1)ncnc2n(nc3)C | | InChi: | InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | JJP | | Name: | (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol | | Formula: | C15 H18 N2 O | | SMILES: | c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O | | InChi: | InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol |
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 | | JJY | | Name: | 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione | | Formula: | C13 H13 N O2 | | SMILES: | C2CC(c3cc1C(=O)CCCc1nc3C2)=O | | InChi: | InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione |
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 | | JK7 | | Name: | N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide | | Formula: | C15 H17 N O3 | | SMILES: | C4C(C(NC1C(C2c3ccccc3C1O2)O)=O)CC4 | | InChi: | InChI=1S/C15H17NO3/c17-12-11(16-15(18)8-4-3-5-8)13-9-6-1-2-7-10(9)14(12)19-13/h1-2,6-8,11-14,17H,3-5H2,(H,16,18)/t11-,12-,13-,14+/m0/s1 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide |
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 | | JKA | | Name: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol | | Formula: | C9 H17 N O4 S | | SMILES: | C1C2C(CN(S(C)(=O)=O)C1CCC2O)O | | InChi: | InChI=1S/C9H17NO4S/c1-15(13,14)10-5-9(12)7-4-6(10)2-3-8(7)11/h6-9,11-12H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol |
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 | | JKG | | Name: | 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol | | Formula: | C12 H13 N O S | | SMILES: | c2c(CNCc1cccs1)ccc(c2)O | | InChi: | InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol |
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 | | JKJ | | Name: | (1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol | | Formula: | C10 H19 N O4 S | | SMILES: | COCC1C2(CCC(N1S(=O)(C)=O)CC2)O | | InChi: | InChI=1S/C10H19NO4S/c1-15-7-9-10(12)5-3-8(4-6-10)11(9)16(2,13)14/h8-9,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol |
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 | | JKP | | Name: | 2,6-dichloropyridine-4-carboxylic acid | | Formula: | C6 H3 Cl2 N O2 | | SMILES: | OC(c1cc(nc(c1)Cl)Cl)=O | | InChi: | InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2,6-dichloropyridine-4-carboxylic acid |
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