![KK4 KK4](https://data.pdbj.org/pdbjplus/data/cc/svg/KK4.svg) | KK4 | Name: | 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one | Formula: | C30 H28 N4 O3 | SMILES: | O=C1ON=C(N1)C(=C2/c4c(COc3c2cccc3)cc(cc4)Cn5c(CCC)nc6c5cccc6C)C | InChi: | InChI=1S/C30H28N4O3/c1-4-8-26-31-28-18(2)9-7-11-24(28)34(26)16-20-13-14-22-21(15-20)17-36-25-12-6-5-10-23(25)27(22)19(3)29-32-30(35)37-33-29/h5-7,9-15H,4,8,16-17H2,1-3H3,(H,32,33,35)/b27-19+ | Definition date: | 2018-08-10 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one |
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![GV5 GV5](https://data.pdbj.org/pdbjplus/data/cc/svg/GV5.svg) | GV5 | Name: | 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine | Formula: | C22 H21 N5 O2 S | SMILES: | CN(C)c1cccc(c1)c2cc(Nc3cnccc3[S](C)(=O)=O)cc4nccnc24 | InChi: | InChI=1S/C22H21N5O2S/c1-27(2)17-6-4-5-15(11-17)18-12-16(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)30(3,28)29/h4-14,26H,1-3H3 | Definition date: | 2018-10-11 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine |
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![GV8 GV8](https://data.pdbj.org/pdbjplus/data/cc/svg/GV8.svg) | GV8 | Name: | 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine | Formula: | C23 H18 N4 O3 S | SMILES: | Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O)=O)cc5nccnc35 | InChi: | InChI=1S/C23H18N4O3S/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3 | Definition date: | 2018-10-11 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine |
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![L7M L7M](https://data.pdbj.org/pdbjplus/data/cc/svg/L7M.svg) | L7M | Name: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide | Formula: | C35 H37 Cl N4 O5 S | SMILES: | c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCCCNS(c4cccc5c4cccc5N(C)C)(=O)=O)=O | InChi: | InChI=1S/C35H37ClN4O5S/c1-23-29(30-21-26(45-4)17-18-32(30)40(23)35(42)24-13-15-25(36)16-14-24)22-34(41)37-19-5-6-20-38-46(43,44)33-12-8-9-27-28(33)10-7-11-31(27)39(2)3/h7-18,21,38H,5-6,19-20,22H2,1-4H3,(H,37,41) | Definition date: | 2017-11-10 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide |
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![DXS DXS](https://data.pdbj.org/pdbjplus/data/cc/svg/DXS.svg) | DXS | Name: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide | Formula: | C33 H33 Cl N4 O5 S | SMILES: | c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCNS(c5c4cccc(c4ccc5)N(C)C)(=O)=O)=O | InChi: | InChI=1S/C33H33ClN4O5S/c1-21-27(28-19-24(43-4)15-16-30(28)38(21)33(40)22-11-13-23(34)14-12-22)20-32(39)35-17-18-36-44(41,42)31-10-6-7-25-26(31)8-5-9-29(25)37(2)3/h5-16,19,36H,17-18,20H2,1-4H3,(H,35,39) | Definition date: | 2017-11-10 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide |
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![DY1 DY1](https://data.pdbj.org/pdbjplus/data/cc/svg/DY1.svg) | DY1 | Name: | [(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid | Formula: | C24 H23 F4 N O4 S | SMILES: | c4c(S(C)(=O)=O)c2c(c1c(C(CC(O)=O)CCC1)n2C(C)c3ccc(cc3)C(F)(F)F)cc4F | InChi: | InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m1/s1 | Definition date: | 2017-11-13 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | [(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid |
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![D8N D8N](https://data.pdbj.org/pdbjplus/data/cc/svg/D8N.svg) | D8N | Name: | ~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide | Formula: | C11 H12 N2 O2 | SMILES: | CC(=O)Nc1ccc(cc1)[CH]2CC=NO2 | InChi: | InChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-9(3-5-10)11-6-7-12-15-11/h2-5,7,11H,6H2,1H3,(H,13,14)/t11-/m1/s1 | Definition date: | 2018-01-09 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | ~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide |
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![6JN 6JN](https://data.pdbj.org/pdbjplus/data/cc/svg/6JN.svg) | 6JN | Name: | 3-oxopentanedioic acid | Formula: | C5 H6 O5 | SMILES: | C(C(=O)O)C(CC(O)=O)=O | InChi: | InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10) | Definition date: | 2016-04-15 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 3-oxopentanedioic acid |
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![70J 70J](https://data.pdbj.org/pdbjplus/data/cc/svg/70J.svg) | 70J | Name: | 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione | Formula: | C20 H23 N3 O4 S | SMILES: | CN1C(=O)N(Cc2ccccc2)c3ccc(cc3C1=O)[S](O)(O)NC4(C)CC4 | InChi: | InChI=1S/C20H23N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h3-9,12,21,26-27H,10-11,13H2,1-2H3 | Definition date: | 2016-08-05 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione |
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![73L 73L](https://data.pdbj.org/pdbjplus/data/cc/svg/73L.svg) | 73L | Name: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione | Formula: | C23 H28 N6 O4 S2 | SMILES: | Cn1cc(CN2C(=O)N(Cc3sc(C)nc3C)c4ccc(cc4C2=O)[S](O)(O)NC5(C)CC5)cn1 | InChi: | InChI=1S/C23H28N6O4S2/c1-14-20(34-15(2)25-14)13-28-19-6-5-17(35(32,33)26-23(3)7-8-23)9-18(19)21(30)29(22(28)31)12-16-10-24-27(4)11-16/h5-6,9-11,26,32-33H,7-8,12-13H2,1-4H3 | Definition date: | 2016-08-19 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione |
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![7JB 7JB](https://data.pdbj.org/pdbjplus/data/cc/svg/7JB.svg) | 7JB | Name: | ~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide | Formula: | C18 H17 N O4 S | SMILES: | CC(C)(C)N[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 | InChi: | InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3 | Definition date: | 2016-11-02 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | ~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide |
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![7JC 7JC](https://data.pdbj.org/pdbjplus/data/cc/svg/7JC.svg) | 7JC | Name: | 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide | Formula: | C18 H20 N4 O4 S2 | SMILES: | CN1C(=O)N(Cc2sc(C)nc2)C(=O)c3cc(ccc13)[S](=O)(=O)NC4(C)CC4 | InChi: | InChI=1S/C18H20N4O4S2/c1-11-19-9-12(27-11)10-22-16(23)14-8-13(4-5-15(14)21(3)17(22)24)28(25,26)20-18(2)6-7-18/h4-5,8-9,20H,6-7,10H2,1-3H3 | Definition date: | 2016-11-02 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide |
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![RM0 RM0](https://data.pdbj.org/pdbjplus/data/cc/svg/RM0.svg) | RM0 | Name: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol | Formula: | C15 H23 N3 O3 | SMILES: | ON=Cc1nc(CCCCCN2CCOCC2)ccc1O | InChi: | InChI=1S/C15H23N3O3/c19-15-6-5-13(17-14(15)12-16-20)4-2-1-3-7-18-8-10-21-11-9-18/h5-6,12,19-20H,1-4,7-11H2/b16-12+ | Definition date: | 2017-10-30 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol |
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![HJP HJP](https://data.pdbj.org/pdbjplus/data/cc/svg/HJP.svg) | HJP | Name: | 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | Formula: | C7 H6 O5 | SMILES: | O=C(O)C=1OC(C)=CC(C=1O)=O | InChi: | InChI=1S/C7H6O5/c1-3-2-4(8)5(9)6(12-3)7(10)11/h2,9H,1H3,(H,10,11) | Definition date: | 2018-07-08 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid |
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![HKD HKD](https://data.pdbj.org/pdbjplus/data/cc/svg/HKD.svg) | HKD | Name: | 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid | Formula: | C9 H8 O5 | SMILES: | OC(=O)C=1C=C(O)C(=O)C(=CC=1C)O | InChi: | InChI=1S/C9H8O5/c1-4-2-6(10)8(12)7(11)3-5(4)9(13)14/h2-3H,1H3,(H,13,14)(H2,10,11,12) | Definition date: | 2018-07-09 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid |
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![HWY HWY](https://data.pdbj.org/pdbjplus/data/cc/svg/HWY.svg) | HWY | Name: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | Formula: | C34 H41 N3 O8 S | SMILES: | C(N(CC(C(Cc1ccccc1)NC(=O)OC4CC2C(OC(=O)N2c3ccccc3)C4)O)S(c5ccc(cc5)OC)(=O)=O)C(C)C | InChi: | InChI=1S/C34H41N3O8S/c1-23(2)21-36(46(41,42)28-16-14-26(43-3)15-17-28)22-31(38)29(18-24-10-6-4-7-11-24)35-33(39)44-27-19-30-32(20-27)45-34(40)37(30)25-12-8-5-9-13-25/h4-17,23,27,29-32,38H,18-22H2,1-3H3,(H,35,39)/t27-,29+,30+,31-,32-/m1/s1 | Definition date: | 2018-07-27 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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![G5V G5V](https://data.pdbj.org/pdbjplus/data/cc/svg/G5V.svg) | G5V | Name: | 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid | Formula: | C7 H6 O5 | SMILES: | O=C(O)C1=C(OC=C(C1=O)O)C | InChi: | InChI=1S/C7H6O5/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,8H,1H3,(H,10,11) | Definition date: | 2018-05-09 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid |
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![G5Y G5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/G5Y.svg) | G5Y | Name: | 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid | Formula: | C6 H4 O5 | SMILES: | O=C(O)C=1OC=CC(C=1O)=O | InChi: | InChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10) | Definition date: | 2018-05-09 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid |
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![J0S J0S](https://data.pdbj.org/pdbjplus/data/cc/svg/J0S.svg) | J0S | Name: | (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | Formula: | C28 H37 N3 O8 S | SMILES: | O(c1ccc(cc1)S(=O)(N(CC(C)C)CC(O)C(NC(OC3CC2OC(=O)NC2C3)=O)Cc4ccccc4)=O)C | InChi: | InChI=1S/C28H37N3O8S/c1-18(2)16-31(40(35,36)22-11-9-20(37-3)10-12-22)17-25(32)23(13-19-7-5-4-6-8-19)29-27(33)38-21-14-24-26(15-21)39-28(34)30-24/h4-12,18,21,23-26,32H,13-17H2,1-3H3,(H,29,33)(H,30,34)/t21-,23+,24+,25-,26-/m1/s1 | Definition date: | 2018-08-02 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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![FGY FGY](https://data.pdbj.org/pdbjplus/data/cc/svg/FGY.svg) | FGY | Name: | N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide | Formula: | C27 H35 N5 O6 | SMILES: | C(C(NC(C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1)=O)=O)C)(NCc2ccccc2)=O | InChi: | InChI=1S/C27H35N5O6/c1-17(23(34)28-15-18-8-6-5-7-9-18)30-26(37)21(14-22(33)29-16-27(2,3)4)31-24(35)19-10-12-20(13-11-19)25(36)32-38/h5-13,17,21,38H,14-16H2,1-4H3,(H,28,34)(H,29,33)(H,30,37)(H,31,35)(H,32,36)/t17-,21-/m0/s1 | Definition date: | 2018-03-30 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide |
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![GEZ GEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/GEZ.svg) | GEZ | Name: | 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine | Formula: | C19 H24 N4 O3 S | SMILES: | COc1cc2nccc(Nc3[nH]nc(C)c3C)c2cc1[S](=O)(=O)C(C)(C)C | InChi: | InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23) | Definition date: | 2018-09-13 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine |
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![BWW BWW](https://data.pdbj.org/pdbjplus/data/cc/svg/BWW.svg) | BWW | Name: | 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid | Formula: | C19 H14 F N O6 S | SMILES: | OC(=O)c1ccc(N[S](=O)(=O)c2cccc(c2)c3cc(F)ccc3O)cc1O | InChi: | InChI=1S/C19H14FNO6S/c20-12-4-7-17(22)16(9-12)11-2-1-3-14(8-11)28(26,27)21-13-5-6-15(19(24)25)18(23)10-13/h1-10,21-23H,(H,24,25) | Definition date: | 2017-10-27 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid |
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![BXK BXK](https://data.pdbj.org/pdbjplus/data/cc/svg/BXK.svg) | BXK | Name: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid | Formula: | C12 H19 N O8 | SMILES: | CC(C)C[CH](NC(=O)O[CH](CCC(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H19NO8/c1-6(2)5-7(10(16)17)13-12(20)21-8(11(18)19)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8+/m1/s1 | Definition date: | 2017-10-27 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid |
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![L36 L36](https://data.pdbj.org/pdbjplus/data/cc/svg/L36.svg) | L36 | Name: | ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | Formula: | C15 H23 N3 O3 | SMILES: | CCCN(Cc1ccc(N)cc1)C(=O)NCC(=O)OCC | InChi: | InChI=1S/C15H23N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h5-8H,3-4,9-11,16H2,1-2H3,(H,17,20) | Definition date: | 2018-05-16 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate |
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![8XR 8XR](https://data.pdbj.org/pdbjplus/data/cc/svg/8XR.svg) | 8XR | Name: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide | Formula: | C24 H29 N3 O2 | SMILES: | C[CH]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)C(=O)Nc4ccc(C)cc4C | InChi: | InChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28)/t17-/m1/s1 | Definition date: | 2017-11-06 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide |
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