![KMG KMG](https://data.pdbj.org/pdbjplus/data/cc/svg/KMG.svg) | KMG | Name: | N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide | Formula: | C12 H17 N3 O2 S | SMILES: | Cc2c1c(ccc(c1)NS(CCCC)(=O)=O)nn2 | InChi: | InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14) | Definition date: | 2017-06-07 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide |
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![HKB HKB](https://data.pdbj.org/pdbjplus/data/cc/svg/HKB.svg) | HKB | Name: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide | Formula: | C22 H18 N2 O6 S | SMILES: | CN(C)c1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O | InChi: | InChI=1S/C22H18N2O6S/c1-24(2)12-7-9-13(10-8-12)31(29,30)23-17-11-16-18(22(28)21(17)27)20(26)15-6-4-3-5-14(15)19(16)25/h3-11,23,27-28H,1-2H3 | Definition date: | 2017-08-15 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide |
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![7UR 7UR](https://data.pdbj.org/pdbjplus/data/cc/svg/7UR.svg) | 7UR | Name: | 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid | Formula: | C24 H21 F N2 O3 | SMILES: | C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(F)c3ccccc23 | InChi: | InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1 | Definition date: | 2016-12-27 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 4-[4-cyano-2-[[(2~{R})-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid |
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![8VL 8VL](https://data.pdbj.org/pdbjplus/data/cc/svg/8VL.svg) | 8VL | Name: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid | Formula: | C24 H21 Br N2 O3 | SMILES: | C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(Br)c3ccccc23 | InChi: | InChI=1S/C24H21BrN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1 | Definition date: | 2017-10-04 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 4-[2-[[(2~{R})-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid |
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![91L 91L](https://data.pdbj.org/pdbjplus/data/cc/svg/91L.svg) | 91L | Name: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | Formula: | C15 H9 N O5 | SMILES: | c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O | InChi: | InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21) | Definition date: | 2017-11-30 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
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![91O 91O](https://data.pdbj.org/pdbjplus/data/cc/svg/91O.svg) | 91O | Name: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid | Formula: | C18 H16 Cl N O5 | SMILES: | c1(cc(c(cc1C(O)=O)Cl)N[C@H]=CC(c2ccc(cc2)OC)=O)OC | InChi: | InChI=1S/C18H16ClNO5/c1-24-12-5-3-11(4-6-12)16(21)7-8-20-15-10-17(25-2)13(18(22)23)9-14(15)19/h3-10,20H,1-2H3,(H,22,23)/b8-7- | Definition date: | 2017-11-30 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 5-chloro-2-methoxy-4-{[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid |
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![91X 91X](https://data.pdbj.org/pdbjplus/data/cc/svg/91X.svg) | 91X | Name: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione | Formula: | C14 H8 N4 O3 S | SMILES: | c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4 | InChi: | InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18) | Definition date: | 2017-11-30 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione |
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![BVR BVR](https://data.pdbj.org/pdbjplus/data/cc/svg/BVR.svg) | BVR | Name: | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron | Formula: | C27 H36 B N2 O9 S | SMILES: | CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[B](O)=O | InChi: | InChI=1S/C27H36BN2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)28(33)34)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)39-25-17-38-26-22(25)12-13-37-26/h3-11,18,22-26,31,33H,12-17H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | Definition date: | 2018-01-26 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron |
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![EBE EBE](https://data.pdbj.org/pdbjplus/data/cc/svg/EBE.svg) | EBE | Name: | (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide | Formula: | C19 H16 F N3 O2 | SMILES: | Cc1ncc(cn1)c2ccc(cc2)[CH](C(=O)NO)c3ccccc3F | InChi: | InChI=1S/C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20/h2-11,18,25H,1H3,(H,23,24)/t18-/m0/s1 | Definition date: | 2018-03-13 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide |
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![EZW EZW](https://data.pdbj.org/pdbjplus/data/cc/svg/EZW.svg) | EZW | Name: | 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate | Formula: | C27 H18 N2 O3 | SMILES: | CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56 | InChi: | InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3 | Definition date: | 2018-05-16 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 |
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![F9Z F9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/F9Z.svg) | F9Z | Name: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one | Formula: | C21 H20 Cl N O5 | SMILES: | CN1CC[CH]([CH](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl | InChi: | InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17-/m0/s1 | Definition date: | 2018-06-19 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one |
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![FC8 FC8](https://data.pdbj.org/pdbjplus/data/cc/svg/FC8.svg) | FC8 | Name: | ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine | Formula: | C19 H24 Cl N7 | SMILES: | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12 | InChi: | InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1 | Definition date: | 2018-06-19 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine |
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![FVW FVW](https://data.pdbj.org/pdbjplus/data/cc/svg/FVW.svg) | FVW | Name: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C18 H23 F N4 O8 | SMILES: | CN(C(=O)CCC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)c1ccc(F)nc1 | InChi: | InChI=1S/C18H23FN4O8/c1-23(10-5-7-13(19)20-9-10)14(24)4-2-3-11(16(27)28)21-18(31)22-12(17(29)30)6-8-15(25)26/h5,7,9,11-12H,2-4,6,8H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)/t11-,12-/m0/s1 | Definition date: | 2018-08-01 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![FVZ FVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/FVZ.svg) | FVZ | Name: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C18 H22 F N3 O8 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)Nc1ccc(F)cc1)C(O)=O)C(O)=O | InChi: | InChI=1S/C18H22FN3O8/c19-10-4-6-11(7-5-10)20-14(23)3-1-2-12(16(26)27)21-18(30)22-13(17(28)29)8-9-15(24)25/h4-7,12-13H,1-3,8-9H2,(H,20,23)(H,24,25)(H,26,27)(H,28,29)(H2,21,22,30)/t12-,13-/m0/s1 | Definition date: | 2018-08-01 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![G1N G1N](https://data.pdbj.org/pdbjplus/data/cc/svg/G1N.svg) | G1N | Name: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid | Formula: | C9 H7 N3 O4 S2 | SMILES: | OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2 | InChi: | InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14) | Definition date: | 2018-08-21 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid |
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![G8W G8W](https://data.pdbj.org/pdbjplus/data/cc/svg/G8W.svg) | G8W | Name: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C17 H21 F N4 O8 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)Nc1ccc(F)nc1)C(O)=O)C(O)=O | InChi: | InChI=1S/C17H21FN4O8/c18-12-6-4-9(8-19-12)20-13(23)3-1-2-10(15(26)27)21-17(30)22-11(16(28)29)5-7-14(24)25/h4,6,8,10-11H,1-3,5,7H2,(H,20,23)(H,24,25)(H,26,27)(H,28,29)(H2,21,22,30)/t10-,11-/m0/s1 | Definition date: | 2018-09-07 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![GBZ GBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/GBZ.svg) | GBZ | Name: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C26 H30 F N5 O9 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)N(CCNC(=O)c1ccc(F)nc1)c2ccccc2)C(O)=O)C(O)=O | InChi: | InChI=1S/C26H30FN5O9/c27-20-11-9-16(15-29-20)23(36)28-13-14-32(17-5-2-1-3-6-17)21(33)8-4-7-18(24(37)38)30-26(41)31-19(25(39)40)10-12-22(34)35/h1-3,5-6,9,11,15,18-19H,4,7-8,10,12-14H2,(H,28,36)(H,34,35)(H,37,38)(H,39,40)(H2,30,31,41)/t18-,19-/m0/s1 | Definition date: | 2018-09-12 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![R34 R34](https://data.pdbj.org/pdbjplus/data/cc/svg/R34.svg) | R34 | Name: | 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide | Formula: | C24 H19 Cl N4 O3 | SMILES: | c15c(ccc(c1)c2c(Cl)cc3c(c2)nc(n3)Oc4cc(c(cc4)C)C(=O)NO)n(C)cc5 | InChi: | InChI=1S/C24H19ClN4O3/c1-13-3-5-16(10-17(13)23(30)28-31)32-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-29(22)2/h3-12,31H,1-2H3,(H,26,27)(H,28,30) | Definition date: | 2018-01-29 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide |
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![R5I R5I](https://data.pdbj.org/pdbjplus/data/cc/svg/R5I.svg) | R5I | Name: | inosine diphosphate ribose | Formula: | C15 H22 N4 O15 P2 | SMILES: | O[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC=Nc34)[CH](O)[CH]1O | InChi: | InChI=1S/C15H22N4O15P2/c20-8-5(32-14(10(8)22)19-4-18-7-12(19)16-3-17-13(7)24)1-30-35(26,27)34-36(28,29)31-2-6-9(21)11(23)15(25)33-6/h3-6,8-11,14-15,20-23,25H,1-2H2,(H,26,27)(H,28,29)(H,16,17,24)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | Definition date: | 2018-09-18 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![R7I R7I](https://data.pdbj.org/pdbjplus/data/cc/svg/R7I.svg) | R7I | Name: | inosine diphosphate ribose | Formula: | C15 H22 N4 O15 P2 | SMILES: | O[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC=Nc34)[CH](O)[CH]1O | InChi: | InChI=1S/C15H22N4O15P2/c20-8-5(32-14(10(8)22)19-4-18-7-12(19)16-3-17-13(7)24)1-30-35(26,27)34-36(28,29)31-2-6-9(21)11(23)15(25)33-6/h3-6,8-11,14-15,20-23,25H,1-2H2,(H,26,27)(H,28,29)(H,16,17,24)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 | Definition date: | 2018-09-20 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![HB4 HB4](https://data.pdbj.org/pdbjplus/data/cc/svg/HB4.svg) | HB4 | Name: | N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide | Formula: | C16 H15 N5 | SMILES: | c41c(CCC1NC=N)ccc(c3c2ccnc2ncn3)c4 | InChi: | InChI=1S/C16H15N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-9,14H,3-4H2,(H2,17,19)(H,18,20,21)/t14-/m0/s1 | Definition date: | 2018-06-21 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide |
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![R93 R93](https://data.pdbj.org/pdbjplus/data/cc/svg/R93.svg) | R93 | Name: | 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide | Formula: | C27 H20 Cl N3 O4 | SMILES: | O=C(NO)c1cc(ccc1C)Oc2nc3c(n2)cc(c(c3)Cl)c5ccc(c4c(cccc4)O)cc5 | InChi: | InChI=1S/C27H20ClN3O4/c1-15-6-11-18(12-20(15)26(33)31-34)35-27-29-23-13-21(22(28)14-24(23)30-27)17-9-7-16(8-10-17)19-4-2-3-5-25(19)32/h2-14,32,34H,1H3,(H,29,30)(H,31,33) | Definition date: | 2018-01-29 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide |
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![HZ7 HZ7](https://data.pdbj.org/pdbjplus/data/cc/svg/HZ7.svg) | HZ7 | Name: | (1R,2S,3S,4R,5S,6R)-5-{[(R)-[(2R)-2,3-bis{[(1S)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] | Formula: | C25 H53 O19 P3 | SMILES: | C1(O)C(C(C(OP(=O)(OCC(COC(CCCCCCC)O)OC(O)CCCCCCC)O)C(C1OP(O)(O)=O)O)O)OP(O)(=O)O | InChi: | InChI=1S/C25H53O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-25-21(29)23(42-45(31,32)33)20(28)24(22(25)30)43-46(34,35)36/h17-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,18+,19+,20-,21-,22-,23-,24+,25-/m1/s1 | Definition date: | 2018-07-30 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | (1R,2S,3S,4R,5S,6R)-5-{[(R)-[(2R)-2,3-bis{[(1S)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] |
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![J3V J3V](https://data.pdbj.org/pdbjplus/data/cc/svg/J3V.svg) | J3V | Name: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide | Formula: | C14 H11 F3 N4 O6 S | SMILES: | c1cc(C(F)(F)F)ccc1NC(Nc2c(c(cc(c2)S(=O)(=O)N)N(=O)=O)O)=O | InChi: | InChI=1S/C14H11F3N4O6S/c15-14(16,17)7-1-3-8(4-2-7)19-13(23)20-10-5-9(28(18,26)27)6-11(12(10)22)21(24)25/h1-6,22H,(H2,18,26,27)(H2,19,20,23) | Definition date: | 2018-08-07 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide |
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![J6V J6V](https://data.pdbj.org/pdbjplus/data/cc/svg/J6V.svg) | J6V | Name: | 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide | Formula: | C14 H13 F N4 O6 S | SMILES: | c1cc(F)c(cc1NC(Nc2c(c(cc(c2)S(N)(=O)=O)N(=O)=O)O)=O)C | InChi: | InChI=1S/C14H13FN4O6S/c1-7-4-8(2-3-10(7)15)17-14(21)18-11-5-9(26(16,24)25)6-12(13(11)20)19(22)23/h2-6,20H,1H3,(H2,16,24,25)(H2,17,18,21) | Definition date: | 2018-08-16 | Last modified: | 2018-11-23 | Release date: | 2018-11-28 | Identifier: | 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide |
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