![4BT 4BT](https://data.pdbj.org/pdbjplus/data/cc/svg/4BT.svg) | 4BT | Name: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | Formula: | C12 H18 N4 S2 | SMILES: | S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16) | Synonyms: | S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | Definition date: | 1999-09-23 | Last modified: | 2020-06-17 | Identifier: | benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
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![8VY 8VY](https://data.pdbj.org/pdbjplus/data/cc/svg/8VY.svg) | 8VY | Name: | 1,3-bis(bromomethyl)benzene | Formula: | C8 H8 Br2 | SMILES: | BrCc1cccc(CBr)c1 | InChi: | InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2 | Synonyms: | alpha,alpha'-dibromo-m-xylene | Definition date: | 2017-03-08 | Last modified: | 2020-06-17 | Release date: | 2017-07-19 | Identifier: | 1,3-bis(bromomethyl)benzene |
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![946 946](https://data.pdbj.org/pdbjplus/data/cc/svg/946.svg) | 946 | Name: | 4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol | Formula: | C19 H19 N O3 | SMILES: | O[CH](CNCc1ccc2ccccc2c1)c3ccc(O)c(O)c3 | InChi: | InChI=1S/C19H19NO3/c21-17-8-7-16(10-18(17)22)19(23)12-20-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,19-23H,11-12H2/t19-/m0/s1 | Synonyms: | (1-(3,4-dihydroxyphenyl)-2-((naphthalen-1-ylmethyl)amino)ethan-1-one | Definition date: | 2017-12-13 | Last modified: | 2020-06-17 | Release date: | 2018-11-21 | Identifier: | 4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
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![972 972](https://data.pdbj.org/pdbjplus/data/cc/svg/972.svg) | 972 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | Formula: | C18 H19 Cl N4 O2 | SMILES: | [O-]c3c(OCC(C)C)cccc3c2nc1cc(c(Cl)cc1n2)C(=[NH2+])N | InChi: | InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23) | Synonyms: | CRA_10972 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate |
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![COX COX](https://data.pdbj.org/pdbjplus/data/cc/svg/COX.svg) | COX | Name: | 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE | Formula: | C16 H14 N2 O3 S | SMILES: | O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3 | InChi: | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) | Synonyms: | VALDECOXIB | Definition date: | 2005-09-02 | Last modified: | 2020-06-17 | Identifier: | 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide |
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![CR3 CR3](https://data.pdbj.org/pdbjplus/data/cc/svg/CR3.svg) | CR3 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | Formula: | C20 H21 N3 O2 | SMILES: | [O-]c4c(OC1CCCC1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N | InChi: | InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22) | Synonyms: | CRA_10433 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-(cyclopentyloxy)phenolate |
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![CR4 CR4](https://data.pdbj.org/pdbjplus/data/cc/svg/CR4.svg) | CR4 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE | Formula: | C14 H12 N4 O | SMILES: | [O-]c3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N | InChi: | InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18) | Synonyms: | CRA_1144 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}phenolate |
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![CR9 CR9](https://data.pdbj.org/pdbjplus/data/cc/svg/CR9.svg) | CR9 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | Formula: | C21 H23 F N4 O2 | SMILES: | [O-]c4c(OC1CCCCC1C)cccc4c3nc2cc(c(F)cc2n3)C(=[NH2+])N | InChi: | InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1 | Synonyms: | CRA_11092 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}phenolate |
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![9KL 9KL](https://data.pdbj.org/pdbjplus/data/cc/svg/9KL.svg) | 9KL | Name: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid | Formula: | C16 H14 O3 | SMILES: | c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2 | InChi: | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1 | Synonyms: | Dexketoprofen | Definition date: | 2018-05-21 | Last modified: | 2020-06-17 | Release date: | 2019-03-13 | Identifier: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid |
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![D18 D18](https://data.pdbj.org/pdbjplus/data/cc/svg/D18.svg) | D18 | Name: | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | Formula: | C24 H32 N4 O | SMILES: | o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C | InChi: | InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24+ | Synonyms: | FURAMIDINE DERIVATIVE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine] |
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![D2S D2S](https://data.pdbj.org/pdbjplus/data/cc/svg/D2S.svg) | D2S | Name: | 4,4'-disulfanediyldibenzene-1,3-diol | Formula: | C12 H10 O4 S2 | SMILES: | S(Sc1ccc(O)cc1O)c2ccc(O)cc2O | InChi: | InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H | Synonyms: | 4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol | Definition date: | 2009-08-24 | Last modified: | 2020-06-17 | Identifier: | 4,4'-disulfanediyldibenzene-1,3-diol |
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![KLT KLT](https://data.pdbj.org/pdbjplus/data/cc/svg/KLT.svg) | KLT | Name: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | Formula: | C14 H11 Cl N2 O4 S | SMILES: | O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 | InChi: | InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1 | Synonyms: | chlorthalidone | Definition date: | 2008-11-11 | Last modified: | 2020-06-17 | Identifier: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide |
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![0IW 0IW](https://data.pdbj.org/pdbjplus/data/cc/svg/0IW.svg) | 0IW | Name: | Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide | Formula: | C32 H40 N4 O4 S | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(CCc2ccccc2)CCS(=O)(=O)c3ccccc3)Cc4ccccc4 | InChi: | InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1 | Synonyms: | APC-3316, bound form | Definition date: | 2008-09-14 | Last modified: | 2020-06-17 | Identifier: | Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide |
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![L01 L01](https://data.pdbj.org/pdbjplus/data/cc/svg/L01.svg) | L01 | Name: | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE | Formula: | C32 H41 N3 O4 | SMILES: | O=C(N(CCC)CCC)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3 | InChi: | InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1 | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | Definition date: | 2006-10-19 | Last modified: | 2020-06-17 | Identifier: | N'-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N,N-dipropylbenzene-1,3-dicarboxamide |
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![0R0 0R0](https://data.pdbj.org/pdbjplus/data/cc/svg/0R0.svg) | 0R0 | Name: | 2-hydroxybenzonitrile | Formula: | C7 H5 N O | SMILES: | N#Cc1ccccc1O | InChi: | InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H | Synonyms: | 2-Cyanophenol | Definition date: | 2012-04-21 | Last modified: | 2020-06-17 | Release date: | 2012-08-31 | Identifier: | 2-hydroxybenzonitrile |
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![2XM 2XM](https://data.pdbj.org/pdbjplus/data/cc/svg/2XM.svg) | 2XM | Name: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol) | Formula: | C21 H27 N5 O4 S2 | SMILES: | OCCOc3c(OCCO)cc(c1nc(c(s1)CCC)CSc2nc(N)cc(n2)N)cc3 | InChi: | InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26) | Synonyms: | 2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol | Definition date: | 2014-04-08 | Last modified: | 2020-06-17 | Release date: | 2014-11-05 | Identifier: | 2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol |
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![EF6 EF6](https://data.pdbj.org/pdbjplus/data/cc/svg/EF6.svg) | EF6 | Name: | N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide | Formula: | C14 H12 Cl N3 O4 S2 | SMILES: | N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl | InChi: | InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) | Synonyms: | Indisulam | Definition date: | 2019-08-05 | Last modified: | 2020-06-17 | Release date: | 2019-11-13 | Identifier: | N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide |
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![326 326](https://data.pdbj.org/pdbjplus/data/cc/svg/326.svg) | 326 | Name: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | Formula: | C18 H16 N4 O9 S2 | SMILES: | O=S(=O)(O)c3cc(/N=N/c2c(nn(c1c(cc(cc1)S(=O)(=O)O)C)c2O)C)c(C(=O)O)cc3 | InChi: | InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+ | Synonyms: | 2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID | Definition date: | 2004-06-17 | Last modified: | 2020-06-17 | Identifier: | 2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid |
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![334 334](https://data.pdbj.org/pdbjplus/data/cc/svg/334.svg) | 334 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE | Formula: | C15 H13 Br N4 O | SMILES: | Brc3cc(cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C | InChi: | InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20) | Synonyms: | CRA_9334 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylphenolate |
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![FSV FSV](https://data.pdbj.org/pdbjplus/data/cc/svg/FSV.svg) | FSV | Name: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol | Formula: | C14 H11 F O3 | SMILES: | Fc2cc(C=Cc1cc(O)cc(O)c1)ccc2O | InChi: | InChI=1S/C14H11FO3/c15-13-7-9(3-4-14(13)18)1-2-10-5-11(16)8-12(17)6-10/h1-8,16-18H/b2-1+ | Synonyms: | fluoro-resveratrol | Definition date: | 2014-02-28 | Last modified: | 2020-06-17 | Release date: | 2014-05-07 | Identifier: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
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![1PB 1PB](https://data.pdbj.org/pdbjplus/data/cc/svg/1PB.svg) | 1PB | Name: | 1,4-DIPHENYL-2-BUTENE | Formula: | C16 H16 | SMILES: | C(=C/c1ccccc1)CCc2ccccc2 | InChi: | InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+ | Synonyms: | [(1E)-4-PHENYLBUT-1-ENYL]BENZENE | Definition date: | 2003-07-08 | Last modified: | 2020-06-17 | Identifier: | 1,1'-(1E)-but-1-ene-1,4-diyldibenzene |
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![LJ4 LJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/LJ4.svg) | LJ4 | Name: | 2,6-dibromo-4-phenoxyphenol | Formula: | C12 H8 Br2 O2 | SMILES: | Brc2cc(Oc1ccccc1)cc(Br)c2O | InChi: | InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H | Synonyms: | 1,3-Dibromo-2-hydroxy-5-phenoxybenzene | Definition date: | 2008-03-25 | Last modified: | 2020-06-17 | Identifier: | 2,6-dibromo-4-phenoxyphenol |
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![20V 20V](https://data.pdbj.org/pdbjplus/data/cc/svg/20V.svg) | 20V | Name: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic
acid | Formula: | C18 H15 N4 O14 P S2 | SMILES: | O=S(=O)(O)c3c2cc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc(c2cc([N+]([O-])=O)c3)S(=O)(=O)O | InChi: | InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20+ | Synonyms: | PPNDS | Definition date: | 2013-08-13 | Last modified: | 2020-06-17 | Release date: | 2014-02-12 | Identifier: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid |
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![3RD 3RD](https://data.pdbj.org/pdbjplus/data/cc/svg/3RD.svg) | 3RD | Name: | 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid | Formula: | C15 H14 N3 O8 P | SMILES: | O=C(O)c2ccc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc2 | InChi: | InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17+ | Synonyms: | FOBISIN101 | Definition date: | 2011-05-21 | Last modified: | 2020-06-17 | Identifier: | 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid |
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![0ZG 0ZG](https://data.pdbj.org/pdbjplus/data/cc/svg/0ZG.svg) | 0ZG | Name: | 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide | Formula: | C22 H28 N4 O3 S | SMILES: | O=C(N1CCCCC1)C(NS(=O)(=O)c2ccc(cc2)C)Cc3cccc(C(=[N@H])N)c3 | InChi: | InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)/t20-/m0/s1 | Synonyms: | 4-TAPAP | Definition date: | 2008-08-05 | Last modified: | 2020-06-17 | Identifier: | 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzenecarboximidamide |
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