![OKZ OKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OKZ.svg) | OKZ | Name: | 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide | Formula: | C13 H14 N2 O4 S | SMILES: | CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O | InChi: | InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3 | Definition date: | 2020-03-19 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide |
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![9H6 9H6](https://data.pdbj.org/pdbjplus/data/cc/svg/9H6.svg) | 9H6 | Name: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one | Formula: | C21 H24 N4 O2 | SMILES: | C15(C(N(C)c2ccccc12)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5 | InChi: | InChI=1S/C21H24N4O2/c1-24-17-9-5-3-7-15(17)21(19(24)27)10-12-25(13-11-21)20-22-16-8-4-2-6-14(16)18(26)23-20/h3,5,7,9H,2,4,6,8,10-13H2,1H3,(H,22,23,26) | Definition date: | 2018-04-27 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one |
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![8ZX 8ZX](https://data.pdbj.org/pdbjplus/data/cc/svg/8ZX.svg) | 8ZX | Name: | 4-methoxybenzamide | Formula: | C8 H9 N O2 | SMILES: | COc1ccc(cc1)C(N)=O | InChi: | InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10) | Definition date: | 2017-11-15 | Last modified: | 2019-02-22 | Release date: | 2019-02-27 | Identifier: | 4-methoxybenzamide |
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![BGW BGW](https://data.pdbj.org/pdbjplus/data/cc/svg/BGW.svg) | BGW | Name: | 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid | Formula: | C20 H20 N2 O3 S | SMILES: | OC(=O)C1CCN(CC1)Cc2ccc(Oc3sc4ccccc4n3)cc2 | InChi: | InChI=1S/C20H20N2O3S/c23-19(24)15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)25-20-21-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H,23,24) | Definition date: | 2017-10-04 | Last modified: | 2017-12-08 | Release date: | 2017-12-13 | Identifier: | 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid |
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![8E7 8E7](https://data.pdbj.org/pdbjplus/data/cc/svg/8E7.svg) | 8E7 | Name: | 2-(decylamino)ethane-1-thiol | Formula: | C12 H27 N S | SMILES: | CCCCCCCCCCNCCS | InChi: | InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3 | Definition date: | 2017-01-27 | Last modified: | 2017-06-09 | Release date: | 2017-06-14 | Identifier: | 2-(decylamino)ethane-1-thiol |
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![JVT JVT](https://data.pdbj.org/pdbjplus/data/cc/svg/JVT.svg) | JVT | Name: | N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide | Formula: | C19 H21 N5 O | SMILES: | O=C(c2nnc1ccccc12)Nc4ccc(N3CCN(C)CC3)cc4 | InChi: | InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)20-19(25)18-16-4-2-3-5-17(16)21-22-18/h2-9H,10-13H2,1H3,(H,20,25)(H,21,22) | Definition date: | 2013-08-14 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide |
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![PV4 PV4](https://data.pdbj.org/pdbjplus/data/cc/svg/PV4.svg) | PV4 | Name: | 2-phenoxy-5-propyl-phenol | Formula: | C15 H16 O2 | SMILES: | O(c1ccccc1)c2ccc(cc2O)CCC | InChi: | InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3 | Definition date: | 2013-05-15 | Last modified: | 2014-09-05 | Release date: | 2013-06-05 | Identifier: | 2-phenoxy-5-propylphenol |
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![2EX 2EX](https://data.pdbj.org/pdbjplus/data/cc/svg/2EX.svg) | 2EX | Name: | (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one | Formula: | C20 H19 F N4 O3 | SMILES: | Fc1ncccc1c5cc3c(OC4C(C32N=C(N)N(C2=O)C)COCC4)cc5 | InChi: | InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1 | Definition date: | 2013-10-02 | Last modified: | 2014-05-09 | Release date: | 2014-05-14 | Identifier: | (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one |
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![I5R I5R](https://data.pdbj.org/pdbjplus/data/cc/svg/I5R.svg) | I5R | Name: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one | Formula: | C16 H14 N4 O | SMILES: | O=C2Nc1ncccc1NC2Cc4c3ccccc3nc4 | InChi: | InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m1/s1 | Definition date: | 2013-02-25 | Last modified: | 2013-03-15 | Release date: | 2013-03-20 | Identifier: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one |
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![1HX 1HX](https://data.pdbj.org/pdbjplus/data/cc/svg/1HX.svg) | 1HX | Name: | N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide | Formula: | C15 H13 Cl F N3 O | SMILES: | O=C(c1ccc(C#N)n1C)NC(c2c(F)cccc2Cl)C | InChi: | InChI=1S/C15H13ClFN3O/c1-9(14-11(16)4-3-5-12(14)17)19-15(21)13-7-6-10(8-18)20(13)2/h3-7,9H,1-2H3,(H,19,21)/t9-/m0/s1 | Definition date: | 2013-02-08 | Last modified: | 2013-03-08 | Release date: | 2013-03-13 | Identifier: | N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide |
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![5SI 5SI](https://data.pdbj.org/pdbjplus/data/cc/svg/5SI.svg) | 5SI | Name: | 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione | Formula: | C15 H20 N O12 P3 S | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=S)c1c(cc(cc1)C)C=C2)CC3O | InChi: | InChI=1S/C15H20NO12P3S/c1-9-2-3-11-10(6-9)4-5-16(15(11)32)14-7-12(17)13(26-14)8-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-6,12-14,17H,7-8H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t12-,13+,14+/m0/s1 | Definition date: | 2011-07-29 | Last modified: | 2012-06-01 | Identifier: | 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione |
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![GPD GPD](https://data.pdbj.org/pdbjplus/data/cc/svg/GPD.svg) | GPD | Name: | (2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyl-oxan-2-yl | Formula: | C16 H26 N6 O13 P2 | SMILES: | O=P(OC1OC(C(N)CC1O)C)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O | InChi: | InChI=1S/C16H26N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h4-8,10-11,14-15,23-25H,2-3,17H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/t5-,6+,7+,8-,10-,11-,14-,15-/m1/s1 | Definition date: | 2008-08-12 | Last modified: | 2011-06-04 | Identifier: | (2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![217 217](https://data.pdbj.org/pdbjplus/data/cc/svg/217.svg) | 217 | Name: | (2S)-HEX-5-ENE-1,2-DIOL | Formula: | C6 H12 O2 | SMILES: | OCC(O)CCC=C | InChi: | InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h2,6-8H,1,3-5H2/t6-/m0/s1 | Definition date: | 2006-03-03 | Last modified: | 2011-06-04 | Identifier: | (2S)-hex-5-ene-1,2-diol |
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![251 251](https://data.pdbj.org/pdbjplus/data/cc/svg/251.svg) | 251 | Name: | N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide | Formula: | C19 H18 N4 O | SMILES: | O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3 | InChi: | InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24) | Definition date: | 2007-09-11 | Last modified: | 2011-06-04 | Identifier: | N-carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide |
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![HCZ HCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HCZ.svg) | HCZ | Name: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | Formula: | C7 H8 Cl N3 O4 S2 | SMILES: | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N | InChi: | InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) | Definition date: | 2009-08-06 | Last modified: | 2011-06-04 | Identifier: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
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![SNH SNH](https://data.pdbj.org/pdbjplus/data/cc/svg/SNH.svg) | SNH | Name: | 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID | Formula: | C19 H17 N O5 S3 | SMILES: | O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1C)C)c3sc(C(=O)C)cc3 | InChi: | InChI=1S/C19H17NO5S3/c1-10-4-7-17(11(2)8-10)28(24,25)20-13-9-16(27-18(13)19(22)23)15-6-5-14(26-15)12(3)21/h4-9,20H,1-3H3,(H,22,23) | Definition date: | 2005-10-06 | Last modified: | 2011-06-04 | Identifier: | 5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid |
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![MO5 MO5](https://data.pdbj.org/pdbjplus/data/cc/svg/MO5.svg) | MO5 | Name: | MAGNESIUM ION, 5 WATERS COORDINATED | Formula: | H10 Mg O5 | SMILES: | O|[Mg++](|O)(|O)(|O)|O | InChi: | InChI=1/Mg.5H2O/h | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 |
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