![2NE 2NE](https://data.pdbj.org/pdbjplus/data/cc/svg/2NE.svg) | 2NE | Name: | Salicylyl CoA | Formula: | C28 H40 N7 O18 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccccc4O | InChi: | InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1 | Definition date: | 2012-12-20 | Last modified: | 2013-05-03 | Release date: | 2013-05-08 | Identifier: | S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxybenzenecarbothioate (non-preferred name) |
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![03K 03K](https://data.pdbj.org/pdbjplus/data/cc/svg/03K.svg) | 03K | Name: | N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide | Formula: | C14 H14 N4 O2 | SMILES: | O=C(Nc1nnc(c1)C2CC2)c3ccc(C(=O)N)cc3 | InChi: | InChI=1S/C14H14N4O2/c15-13(19)9-3-5-10(6-4-9)14(20)16-12-7-11(17-18-12)8-1-2-8/h3-8H,1-2H2,(H2,15,19)(H2,16,17,18,20) | Definition date: | 2011-04-05 | Last modified: | 2013-04-26 | Release date: | 2013-05-01 | Identifier: | N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide |
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![1ET 1ET](https://data.pdbj.org/pdbjplus/data/cc/svg/1ET.svg) | 1ET | Name: | 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) | Formula: | C23 H29 N5 | SMILES: | n1c(N)cc(cc1CCc2cc(cc(c2)CN)CCc3nc(N)cc(c3)C)C | InChi: | InChI=1S/C23H29N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6,14,24H2,1-2H3,(H2,25,27)(H2,26,28) | Definition date: | 2013-01-08 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) |
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![1EV 1EV](https://data.pdbj.org/pdbjplus/data/cc/svg/1EV.svg) | 1EV | Name: | 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile | Formula: | C23 H25 N5 | SMILES: | N#Cc1cc(cc(c1)CCc2nc(N)cc(c2)C)CCc3nc(N)cc(c3)C | InChi: | InChI=1S/C23H25N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6H2,1-2H3,(H2,25,27)(H2,26,28) | Definition date: | 2013-01-08 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile |
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![1EW 1EW](https://data.pdbj.org/pdbjplus/data/cc/svg/1EW.svg) | 1EW | Name: | 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) | Formula: | C25 H33 N5 | SMILES: | n1c(N)cc(cc1CCc2cc(c(cc2)CCCN)CCc3nc(N)cc(c3)C)C | InChi: | InChI=1S/C25H33N5/c1-17-12-22(29-24(27)14-17)9-6-19-5-7-20(4-3-11-26)21(16-19)8-10-23-13-18(2)15-25(28)30-23/h5,7,12-16H,3-4,6,8-11,26H2,1-2H3,(H2,27,29)(H2,28,30) | Definition date: | 2013-01-08 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) |
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![L29 L29](https://data.pdbj.org/pdbjplus/data/cc/svg/L29.svg) | L29 | Name: | N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name) | Formula: | C46 H52 N6 O10 S2 | SMILES: | O=S(=O)(N(C(C(=O)NO)C(C)C)CCNC(=O)c3cccc(C(=O)NCCN(C(C(=O)NO)C(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5 | InChi: | InChI=1S/C46H52N6O10S2/c1-31(2)41(45(55)49-57)51(63(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)28-26-47-43(53)37-16-11-17-38(30-37)44(54)48-27-29-52(42(32(3)4)46(56)50-58)64(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1 | Definition date: | 2012-09-19 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name) |
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![0XX 0XX](https://data.pdbj.org/pdbjplus/data/cc/svg/0XX.svg) | 0XX | Name: | N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide | Formula: | C54 H66 N8 O14 S2 | SMILES: | O=S(=O)(N(OC(C)C)C(C(=O)NO)CCNC(=O)CCCNC(=O)c3cccc(C(=O)NCCCC(=O)NCCC(C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5 | InChi: | InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48+ | Definition date: | 2012-09-18 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide |
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![0Y3 0Y3](https://data.pdbj.org/pdbjplus/data/cc/svg/0Y3.svg) | 0Y3 | Name: | N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide | Formula: | C54 H66 N8 O14 S2 | SMILES: | O=S(=O)(N(OC(C)C)C(C(=O)NO)CCNC(=O)CCCNC(=O)c3cccc(C(=O)NCCCC(=O)NCCC(C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5 | InChi: | InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48-/m1/s1 | Definition date: | 2012-09-18 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide |
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![0ZD 0ZD](https://data.pdbj.org/pdbjplus/data/cc/svg/0ZD.svg) | 0ZD | Name: | N,N'-bis(2-[(biphenyl-4ylsulfonyl)[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide | Formula: | C46 H50 N4 O10 S2 | SMILES: | O=S(=O)(N(C(C(=O)O)C(C)C)CCNC(=O)c3cccc(C(=O)NCCN(C(C(=O)O)C(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5 | InChi: | InChI=1S/C46H50N4O10S2/c1-31(2)41(45(53)54)49(61(57,58)39-22-18-35(19-23-39)33-12-7-5-8-13-33)28-26-47-43(51)37-16-11-17-38(30-37)44(52)48-27-29-50(42(32(3)4)46(55)56)62(59,60)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42H,26-29H2,1-4H3,(H,47,51)(H,48,52)(H,53,54)(H,55,56)/t41-,42-/m1/s1 | Definition date: | 2012-09-18 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | (2R,2'R)-2,2'-(benzene-1,3-diylbis{carbonyliminoethane-2,1-diyl[(biphenyl-4-ylsulfonyl)imino]})bis(3-methylbutanoic acid) (non-preferred name) |
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![12S 12S](https://data.pdbj.org/pdbjplus/data/cc/svg/12S.svg) | 12S | Name: | 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) | Formula: | C25 H33 N5 | SMILES: | n1c(N)cc(cc1CCc2cc(cc(c2)CCCN)CCc3nc(N)cc(c3)C)C | InChi: | InChI=1S/C25H33N5/c1-17-10-22(29-24(27)12-17)7-5-20-14-19(4-3-9-26)15-21(16-20)6-8-23-11-18(2)13-25(28)30-23/h10-16H,3-9,26H2,1-2H3,(H2,27,29)(H2,28,30) | Definition date: | 2013-01-08 | Last modified: | 2013-04-19 | Release date: | 2013-04-24 | Identifier: | 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) |
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![1MK 1MK](https://data.pdbj.org/pdbjplus/data/cc/svg/1MK.svg) | 1MK | Name: | chlorido(eta-6-p-cymene)(N-fluorophenyl-2-pyridinecarbothioamide)osmium(II) | Formula: | C22 H23 Cl F N2 Os S | SMILES: | Fc1ccc(cc1)NC(=S)c2n(cccc2)[Os]4(Cl)C=3(C=CC4(=CC=3)C(C)C)C | InChi: | InChI=1S/C12H9FN2S.C10H14.ClH.Os/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11 | Definition date: | 2013-04-01 | Last modified: | 2013-04-12 | Release date: | 2013-04-17 | Identifier: | chloro[N-(4-fluorophenyl)pyridine-2-carbothioamide-kappaN~1~][1-methyl-4-(propan-2-yl)benzene-kappa~2~C~1~,C~4~]osmium |
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![ELJ ELJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ELJ.svg) | ELJ | Name: | chlorido(eta-6-p-cymene)(N-phenyl-2-pyridinecarbothioamide)osmium(II) | Formula: | C22 H24 Cl N2 Os S | SMILES: | Cl[Os]2S=C(c1ccccn12)Nc3ccccc3.c1cc(ccc1C(C)C)C | InChi: | InChI=1S/C12H10N2S.C10H14.ClH.Os/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10 | Definition date: | 2013-03-09 | Last modified: | 2013-04-12 | Release date: | 2013-04-17 | Identifier: | chloro(N-phenylpyridine-2-carbothioamide-kappa~2~N~1~,S)osmium - 1-methyl-4-(propan-2-yl)benzene (1:1) |
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![2BI 2BI](https://data.pdbj.org/pdbjplus/data/cc/svg/2BI.svg) | 2BI | Name: | 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | Formula: | C10 H7 Cl3 N2 O3 S | SMILES: | O=S(=O)(Nc1noc(c1)C)c2cc(Cl)c(Cl)cc2Cl | InChi: | InChI=1S/C10H7Cl3N2O3S/c1-5-2-10(14-18-5)15-19(16,17)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,15) | Definition date: | 2013-02-06 | Last modified: | 2013-04-12 | Release date: | 2013-04-17 | Identifier: | 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
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![V13 V13](https://data.pdbj.org/pdbjplus/data/cc/svg/V13.svg) | V13 | Name: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | Formula: | C8 H7 F4 N O5 S2 | SMILES: | Fc1c(F)c(c(F)c(F)c1S(=O)(=O)N)S(=O)(=O)CCO | InChi: | InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18) | Definition date: | 2012-11-08 | Last modified: | 2013-04-05 | Release date: | 2013-04-10 | Identifier: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide |
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![V50 V50](https://data.pdbj.org/pdbjplus/data/cc/svg/V50.svg) | V50 | Name: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | Formula: | C12 H9 F4 N3 O2 S2 | SMILES: | O=S(=O)(N)c2c(F)c(F)c(Sc1nc(cc(n1)C)C)c(F)c2F | InChi: | InChI=1S/C12H9F4N3O2S2/c1-4-3-5(2)19-12(18-4)22-10-6(13)8(15)11(23(17,20)21)9(16)7(10)14/h3H,1-2H3,(H2,17,20,21) | Definition date: | 2012-11-06 | Last modified: | 2013-04-05 | Release date: | 2013-04-10 | Identifier: | 4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2,3,5,6-tetrafluorobenzenesulfonamide |
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![1M6 1M6](https://data.pdbj.org/pdbjplus/data/cc/svg/1M6.svg) | 1M6 | Name: | 3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile | Formula: | C21 H20 N4 O2 | SMILES: | N#Cc1cccc(c1)c4ccc3OC(CC2(N=C(N(C2=O)C)N)c3c4)(C)C | InChi: | InChI=1S/C21H20N4O2/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24)/t21-/m1/s1 | Definition date: | 2013-03-26 | Last modified: | 2013-04-05 | Release date: | 2013-04-10 | Identifier: | 3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile |
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![RU7 RU7](https://data.pdbj.org/pdbjplus/data/cc/svg/RU7.svg) | RU7 | Name: | PARA-CYMENE RUTHENIUM CHLORIDE | Formula: | C10 H14 Cl2 Ru | SMILES: | Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C | InChi: | InChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10 | Definition date: | 2005-05-13 | Last modified: | 2013-03-25 | Identifier: | dichlororuthenium; 1-methyl-4-[(2R)-propan-2-yl]benzene |
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![1GJ 1GJ](https://data.pdbj.org/pdbjplus/data/cc/svg/1GJ.svg) | 1GJ | Name: | 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol | Formula: | C21 H15 F3 N2 O2 | SMILES: | FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)Cc4ccccc4 | InChi: | InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-7-16-19(17)25-26(12-13-5-2-1-3-6-13)20(16)15-10-9-14(27)11-18(15)28/h1-11,27-28H,12H2 | Definition date: | 2013-01-25 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol |
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![1GM 1GM](https://data.pdbj.org/pdbjplus/data/cc/svg/1GM.svg) | 1GM | Name: | 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol | Formula: | C16 H13 F3 N2 O2 | SMILES: | FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CC | InChi: | InChI=1S/C16H13F3N2O2/c1-2-21-15(10-7-6-9(22)8-13(10)23)11-4-3-5-12(14(11)20-21)16(17,18)19/h3-8,22-23H,2H2,1H3 | Definition date: | 2013-01-25 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol |
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![1GQ 1GQ](https://data.pdbj.org/pdbjplus/data/cc/svg/1GQ.svg) | 1GQ | Name: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol | Formula: | C18 H17 F3 N2 O2 | SMILES: | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CCCC | InChi: | InChI=1S/C18H17F3N2O2/c1-2-3-9-23-17-13(5-4-6-14(17)18(19,20)21)16(22-23)12-8-7-11(24)10-15(12)25/h4-8,10,24-25H,2-3,9H2,1H3 | Definition date: | 2013-01-26 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol |
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![1GR 1GR](https://data.pdbj.org/pdbjplus/data/cc/svg/1GR.svg) | 1GR | Name: | 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol | Formula: | C18 H17 F3 N2 O2 | SMILES: | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CC(C)C | InChi: | InChI=1S/C18H17F3N2O2/c1-10(2)9-23-17-13(4-3-5-14(17)18(19,20)21)16(22-23)12-7-6-11(24)8-15(12)25/h3-8,10,24-25H,9H2,1-2H3 | Definition date: | 2013-01-26 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol |
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![1GS 1GS](https://data.pdbj.org/pdbjplus/data/cc/svg/1GS.svg) | 1GS | Name: | 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol | Formula: | C18 H17 F3 N2 O2 | SMILES: | FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CC(C)C | InChi: | InChI=1S/C18H17F3N2O2/c1-10(2)9-23-17(12-7-6-11(24)8-15(12)25)13-4-3-5-14(16(13)22-23)18(19,20)21/h3-8,10,24-25H,9H2,1-2H3 | Definition date: | 2013-01-26 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol |
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![1GT 1GT](https://data.pdbj.org/pdbjplus/data/cc/svg/1GT.svg) | 1GT | Name: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol | Formula: | C18 H15 F3 N2 O2 | SMILES: | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CCC=C | InChi: | InChI=1S/C18H15F3N2O2/c1-2-3-9-23-17-13(5-4-6-14(17)18(19,20)21)16(22-23)12-8-7-11(24)10-15(12)25/h2,4-8,10,24-25H,1,3,9H2 | Definition date: | 2013-01-28 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol |
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![1GU 1GU](https://data.pdbj.org/pdbjplus/data/cc/svg/1GU.svg) | 1GU | Name: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol | Formula: | C18 H15 F3 N2 O2 | SMILES: | FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CCC=C | InChi: | InChI=1S/C18H15F3N2O2/c1-2-3-9-23-17(12-8-7-11(24)10-15(12)25)13-5-4-6-14(16(13)22-23)18(19,20)21/h2,4-8,10,24-25H,1,3,9H2 | Definition date: | 2013-01-28 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol |
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![ID4 ID4](https://data.pdbj.org/pdbjplus/data/cc/svg/ID4.svg) | ID4 | Name: | 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide | Formula: | C15 H16 F4 N4 O2 S | SMILES: | O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)CC3CCCCC3)N | InChi: | InChI=1S/C15H16F4N4O2S/c16-10-12(18)15(26(20,24)25)13(19)11(17)14(10)23-7-9(21-22-23)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,20,24,25) | Definition date: | 2012-03-08 | Last modified: | 2013-03-22 | Release date: | 2013-03-27 | Identifier: | 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide |
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