 | | VBC | | Name: | 3-(4-aminophenyl)benzoic acid | | Formula: | C13 H11 N O2 | | SMILES: | Nc1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C13H11NO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,14H2,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-aminophenyl)benzoic acid |
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 | | VM7 | | Name: | 3-(3-methylsulfonylphenyl)benzoic acid | | Formula: | C14 H12 O4 S | | SMILES: | C[S](=O)(=O)c1cccc(c1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H12O4S/c1-19(17,18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(3-methylsulfonylphenyl)benzoic acid |
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 | | CQY | | Name: | (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone | | Formula: | C21 H26 N4 O4 S | | SMILES: | CCOc1c(scc1)C(N2CCN(CC2)c3cc(c(cc3)[N+]([O-])=O)N4CCCC4)=O | | InChi: | InChI=1S/C21H26N4O4S/c1-2-29-19-7-14-30-20(19)21(26)24-12-10-22(11-13-24)16-5-6-17(25(27)28)18(15-16)23-8-3-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3 | | Definition date: | 2017-10-02 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone |
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 | | CU4 | | Name: | 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide | | Formula: | C24 H17 F N4 O3 S | | SMILES: | CS(c1ccc(cc1)c3c(cn(c2ccc(cc2)C#N)n3)C(=O)Nc4cc(ccc4)F)(=O)=O | | InChi: | InChI=1S/C24H17FN4O3S/c1-33(31,32)21-11-7-17(8-12-21)23-22(24(30)27-19-4-2-3-18(25)13-19)15-29(28-23)20-9-5-16(14-26)6-10-20/h2-13,15H,1H3,(H,27,30) | | Definition date: | 2017-10-02 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide |
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 | | CVF | | Name: | 3-[4-(2-acetamidoethyl)phenyl]benzoic acid | | Formula: | C17 H17 N O3 | | SMILES: | CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C17H17NO3/c1-12(19)18-10-9-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17(20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[4-(2-acetamidoethyl)phenyl]benzoic acid |
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 | | CW2 | | Name: | N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) | | Formula: | C12 H20 Cl4 N2 O2 | | SMILES: | C(Cl)(C(=O)NCCCCCCCCNC(=O)C(Cl)Cl)Cl | | InChi: | InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20) | | Definition date: | 2017-09-14 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) |
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 | | TI7 | | Name: | 3-(2-methylphenyl)benzoic acid | | Formula: | C14 H12 O2 | | SMILES: | Cc1ccccc1c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H12O2/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(15)16/h2-9H,1H3,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(2-methylphenyl)benzoic acid |
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 | | 8T8 | | Name: | (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine | | Formula: | C20 H18 Br F3 N2 O | | SMILES: | FC(F)(F)Oc1ccc2c([nH]c3[CH](CCCc23)NCc4ccc(Br)cc4)c1 | | InChi: | InChI=1S/C20H18BrF3N2O/c21-13-6-4-12(5-7-13)11-25-17-3-1-2-16-15-9-8-14(27-20(22,23)24)10-18(15)26-19(16)17/h4-10,17,25-26H,1-3,11H2/t17-/m0/s1 | | Definition date: | 2017-03-06 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine |
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 | | 8UM | | Name: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide | | Formula: | C21 H20 F N3 O4 S2 | | SMILES: | c3(NS(c2ccc(C1=CNC(=O)C(C1)(C)CC)s2)(=O)=O)cc4c(cc3F)C=CNC4=O | | InChi: | InChI=1S/C21H20FN3O4S2/c1-3-21(2)10-13(11-24-20(21)27)17-4-5-18(30-17)31(28,29)25-16-9-14-12(8-15(16)22)6-7-23-19(14)26/h4-9,11,25H,3,10H2,1-2H3,(H,23,26)(H,24,27)/t21-/m0/s1 | | Definition date: | 2017-03-03 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide |
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 | | 8US | | Name: | N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide | | Formula: | C17 H16 F N3 O4 S2 | | SMILES: | c3(NS(c1ccc(s1)N2CCC(C2)O)(=O)=O)cc4c(cc3F)C=CNC4=O | | InChi: | InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1 | | Definition date: | 2017-03-03 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide |
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 | | S1C | | Name: | 3-(4-acetamidophenyl)benzoic acid | | Formula: | C15 H13 N O3 | | SMILES: | CC(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C15H13NO3/c1-10(17)16-14-7-5-11(6-8-14)12-3-2-4-13(9-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-acetamidophenyl)benzoic acid |
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 | | S1D | | Name: | 3-(4-fluorophenyl)benzoic acid | | Formula: | C13 H9 F O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccc(F)cc2 | | InChi: | InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-fluorophenyl)benzoic acid |
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 | | 8X1 | | Name: | 5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine | | Formula: | C14 H19 N7 O7 S | | SMILES: | O=S(=O)(NC(C1CCN1)=O)OCC2C(C(O)C(O2)n3cnc4c3ncnc4N)O | | InChi: | InChI=1S/C14H19N7O7S/c15-11-8-12(18-4-17-11)21(5-19-8)14-10(23)9(22)7(28-14)3-27-29(25,26)20-13(24)6-1-2-16-6/h4-7,9-10,14,16,22-23H,1-3H2,(H,20,24)(H2,15,17,18)/t6-,7+,9+,10+,14+/m0/s1 | | Definition date: | 2017-03-15 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine |
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 | | AOY | | Name: | (3E)-3-[(phenylamino)methylidene]oxan-2-one | | Formula: | C12 H13 N O2 | | SMILES: | N(c1ccccc1)/C=C2CCCOC2=O | | InChi: | InChI=1S/C12H13NO2/c14-12-10(5-4-8-15-12)9-13-11-6-2-1-3-7-11/h1-3,6-7,9,13H,4-5,8H2/b10-9+ | | Definition date: | 2017-07-20 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | (3E)-3-[(phenylamino)methylidene]oxan-2-one |
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 | | AQ1 | | Name: | 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one | | Formula: | C13 H14 F N3 O | | SMILES: | N2=C(Nc1c(F)cccc1)NC(C=C2CCC)=O | | InChi: | InChI=1S/C13H14FN3O/c1-2-5-9-8-12(18)17-13(15-9)16-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18) | | Definition date: | 2017-07-20 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one |
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 | | WVV | | Name: | 3-(2-fluorophenyl)benzoic acid | | Formula: | C13 H9 F O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccccc2F | | InChi: | InChI=1S/C13H9FO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(2-fluorophenyl)benzoic acid |
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 | | AUV | | Name: | 3-(2-hydroxyphenyl)benzoic acid | | Formula: | C13 H10 O3 | | SMILES: | OC(=O)c1cccc(c1)c2ccccc2O | | InChi: | InChI=1S/C13H10O3/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8,14H,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(2-hydroxyphenyl)benzoic acid |
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 | | AV4 | | Name: | 3-[3-(dimethylamino)phenyl]benzoic acid | | Formula: | C15 H15 N O2 | | SMILES: | CN(C)c1cccc(c1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C15H15NO2/c1-16(2)14-8-4-6-12(10-14)11-5-3-7-13(9-11)15(17)18/h3-10H,1-2H3,(H,17,18) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[3-(dimethylamino)phenyl]benzoic acid |
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 | | AV7 | | Name: | 3-(3-acetamidophenyl)benzoic acid | | Formula: | C15 H13 N O3 | | SMILES: | CC(=O)Nc1cccc(c1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C15H13NO3/c1-10(17)16-14-7-3-5-12(9-14)11-4-2-6-13(8-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(3-acetamidophenyl)benzoic acid |
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 | | AVA | | Name: | 3-pyridin-2-ylbenzoic acid | | Formula: | C12 H9 N O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccccn2 | | InChi: | InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-pyridin-2-ylbenzoic acid |
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 | | AVM | | Name: | 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid | | Formula: | C24 H18 N2 O3 | | SMILES: | CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3ccc4cccnc4c3)C(O)=O | | InChi: | InChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid |
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 | | DUY | | Name: | (2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid | | Formula: | C29 H40 Br N3 O6 | | SMILES: | C(N3CCC(C(=O)NC(C1CCCC1)C(O)=O)(c2ccc(Br)cc2)CC3)(C4CCCN4C(OC(C)(C)C)=O)=O | | InChi: | InChI=1S/C29H40BrN3O6/c1-28(2,3)39-27(38)33-16-6-9-22(33)24(34)32-17-14-29(15-18-32,20-10-12-21(30)13-11-20)26(37)31-23(25(35)36)19-7-4-5-8-19/h10-13,19,22-23H,4-9,14-18H2,1-3H3,(H,31,37)(H,35,36)/t22-,23-/m0/s1 | | Definition date: | 2017-11-08 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | (2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid |
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 | | V7V | | Name: | 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid | | Formula: | C14 H10 N4 O2 | | SMILES: | OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3 | | InChi: | InChI=1S/C14H10N4O2/c19-14(20)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid |
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 | | X6P | | Name: | 3-(1-methylpyrrol-2-yl)benzoic acid | | Formula: | C12 H11 N O2 | | SMILES: | Cn1cccc1c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C12H11NO2/c1-13-7-3-6-11(13)9-4-2-5-10(8-9)12(14)15/h2-8H,1H3,(H,14,15) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(1-methylpyrrol-2-yl)benzoic acid |
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 | | EAJ | | Name: | 3-(2-methoxyphenyl)benzoic acid | | Formula: | C14 H12 O3 | | SMILES: | COc1ccccc1c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H12O3/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(2-methoxyphenyl)benzoic acid |
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