![590 590](https://data.pdbj.org/pdbjplus/data/cc/svg/590.svg) | 590 | Name: | 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine | Formula: | C20 H27 N11 O7 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)C(N=[N+]=[N-])C5O | InChi: | InChI=1S/C20H27N11O7S2/c21-17-15-18(24-7-23-17)31(8-25-15)19-14(28-30-22)16(33)10(38-19)5-37-40(35,36)29-12(32)4-2-1-3-11-13-9(6-39-11)26-20(34)27-13/h7-11,13-14,16,19,33H,1-6H2,(H,29,32)(H2,21,23,24)(H2,26,27,34)/t9-,10+,11-,13-,14-,16+,19+/m0/s1 | Definition date: | 2015-02-04 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine |
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![594 594](https://data.pdbj.org/pdbjplus/data/cc/svg/594.svg) | 594 | Name: | 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine | Formula: | C20 H27 F N8 O7 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)C(F)C5O | InChi: | InChI=1S/C20H27FN8O7S2/c21-13-16(31)10(36-19(13)29-8-25-15-17(22)23-7-24-18(15)29)5-35-38(33,34)28-12(30)4-2-1-3-11-14-9(6-37-11)26-20(32)27-14/h7-11,13-14,16,19,31H,1-6H2,(H,28,30)(H2,22,23,24)(H2,26,27,32)/t9-,10+,11-,13-,14-,16+,19+/m0/s1 | Definition date: | 2015-02-04 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine |
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![4S1 4S1](https://data.pdbj.org/pdbjplus/data/cc/svg/4S1.svg) | 4S1 | Name: | (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol | Formula: | C20 H25 N5 O3 S | SMILES: | c1(nc(NCCC)ncc1c2sc3c(n2)cccc3)NC4C(O)C(O)C(C4)CO | InChi: | InChI=1S/C20H25N5O3S/c1-2-7-21-20-22-9-12(19-24-13-5-3-4-6-15(13)29-19)18(25-20)23-14-8-11(10-26)16(27)17(14)28/h3-6,9,11,14,16-17,26-28H,2,7-8,10H2,1H3,(H2,21,22,23,25)/t11-,14-,16-,17+/m1/s1 | Definition date: | 2015-05-17 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol |
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![4S2 4S2](https://data.pdbj.org/pdbjplus/data/cc/svg/4S2.svg) | 4S2 | Name: | 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one | Formula: | C20 H23 N5 O4 S | SMILES: | C=2(N=C(NC1CC1)NC(C=2c3sc4c(n3)cccc4)=O)NC5C(C(O)C(CO)C5)O | InChi: | InChI=1S/C20H23N5O4S/c26-8-9-7-12(16(28)15(9)27)22-17-14(18(29)25-20(24-17)21-10-5-6-10)19-23-11-3-1-2-4-13(11)30-19/h1-4,9-10,12,15-16,26-28H,5-8H2,(H3,21,22,24,25,29)/t9-,12-,15-,16+/m1/s1 | Definition date: | 2015-05-17 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one |
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![4S3 4S3](https://data.pdbj.org/pdbjplus/data/cc/svg/4S3.svg) | 4S3 | Name: | 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one | Formula: | C20 H24 N6 O2 S | SMILES: | C=2(N=C(N1CCOCC1)NC(C=2c3sc4c(n3)cccc4)=O)NC5CNCCC5 | InChi: | InChI=1S/C20H24N6O2S/c27-18-16(19-23-14-5-1-2-6-15(14)29-19)17(22-13-4-3-7-21-12-13)24-20(25-18)26-8-10-28-11-9-26/h1-2,5-6,13,21H,3-4,7-12H2,(H2,22,24,25,27)/t13-/m1/s1 | Definition date: | 2015-05-17 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one |
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![4Y0 4Y0](https://data.pdbj.org/pdbjplus/data/cc/svg/4Y0.svg) | 4Y0 | Name: | 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide | Formula: | C18 H17 N3 O3 | SMILES: | O=C(Nc2nnc(c1ccccc1)c2)c3ccc(OC)c(OC)c3 | InChi: | InChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22) | Definition date: | 2013-08-12 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide |
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![522 522](https://data.pdbj.org/pdbjplus/data/cc/svg/522.svg) | 522 | Name: | Peroxidized Heme | Formula: | C34 H34 Fe N4 O6 | SMILES: | O=C(O)CCC=2C1=CC8=N7[Fe]53N1C(C=2C)=CC4=N3C(C(=C4C)C(OO)C)=Cc6n5c(c(c6C)[C@H]=C)C=C7C(C)=C8CCC(=O)O | InChi: | InChI=1S/C34H36N4O6.Fe/c1-7-21-16(2)26-14-31-34(20(6)44-43)19(5)27(38-31)12-24-17(3)22(8-10-32(39)40)29(36-24)15-30-23(9-11-33(41)42)18(4)25(37-30)13-28(21)35-26 | Definition date: | 2015-07-15 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | {3,3'-[7-ethenyl-12-(1-hydroperoxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron |
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![3SU 3SU](https://data.pdbj.org/pdbjplus/data/cc/svg/3SU.svg) | 3SU | Name: | (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid | Formula: | C11 H8 Br N O2 S | SMILES: | O=C(O)C(S)=Cc2c1ccc(Br)cc1nc2 | InChi: | InChI=1S/C11H8BrNO2S/c12-7-1-2-8-6(3-10(16)11(14)15)5-13-9(8)4-7/h1-5,13,16H,(H,14,15)/b10-3- | Definition date: | 2014-10-21 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid |
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![CX3 CX3](https://data.pdbj.org/pdbjplus/data/cc/svg/CX3.svg) | CX3 | Name: | [2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dionato(2-)]platinum(1+) | Formula: | C19 H22 N4 O2 Pt | SMILES: | O=C3c1c2c(ccc1)cccc2C(=O)N3CCC[N+]45[Pt](NCC4)NCC5 | InChi: | InChI=1S/C19H22N4O2.Pt/c20-8-12-22(13-9-21)10-3-11-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25 | Definition date: | 2014-11-21 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | [2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dionato(2-)]platinum(1+) |
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![CX8 CX8](https://data.pdbj.org/pdbjplus/data/cc/svg/CX8.svg) | CX8 | Name: | [2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum | Formula: | C19 H21 N4 O2 Pt | SMILES: | O=C3c1c2c(ccc1)cccc2C(=O)N3CCCN5[Pt]4NCCN4CC5 | InChi: | InChI=1S/C19H21N4O2.Pt/c20-8-10-22-12-11-21-9-3-13-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25 | Definition date: | 2014-12-05 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | [2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum |
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![4KV 4KV](https://data.pdbj.org/pdbjplus/data/cc/svg/4KV.svg) | 4KV | Name: | 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol | Formula: | C13 H18 Cl O3 Pt S3 | SMILES: | CCSC(=S)C=C(O[Pt](Cl)[S](C)(C)O)c1cccc(O)c1 | InChi: | InChI=1S/C11H12O2S2.C2H7OS.ClH.Pt/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8 | Definition date: | 2015-04-01 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol |
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![H8N H8N](https://data.pdbj.org/pdbjplus/data/cc/svg/H8N.svg) | H8N | Name: | 4-hydroxybenzonitrile | Formula: | C7 H5 N O | SMILES: | N#Cc1ccc(cc1)O | InChi: | InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H | Definition date: | 2015-05-28 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 4-hydroxybenzonitrile |
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![WCE WCE](https://data.pdbj.org/pdbjplus/data/cc/svg/WCE.svg) | WCE | Name: | 3-CHLORO-BENZAMIDE | Formula: | C7 H6 Cl N O | SMILES: | O=C(c1cc(Cl)ccc1)N | InChi: | InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10) | Definition date: | 2015-01-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 3-chlorobenzamide |
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![UET UET](https://data.pdbj.org/pdbjplus/data/cc/svg/UET.svg) | UET | Name: | N-(BENZYLSULFONYL)-D-PHENYLALANYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE | Formula: | C26 H29 N5 O4 S | SMILES: | O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)Cc2ccccc2)Cc3ccccc3 | InChi: | InChI=1S/C26H29N5O4S/c27-25(28)22-13-11-20(12-14-22)16-29-24(32)17-30-26(33)23(15-19-7-3-1-4-8-19)31-36(34,35)18-21-9-5-2-6-10-21/h1-14,23,31H,15-18H2,(H3,27,28)(H,29,32)(H,30,33)/t23-/m1/s1 | Definition date: | 2015-01-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N-(benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)glycinamide |
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![K9P K9P](https://data.pdbj.org/pdbjplus/data/cc/svg/K9P.svg) | K9P | Name: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one | Formula: | C19 H23 N O2 | SMILES: | CCCCCC(=O)N1C[CH](C)c2c1cc(O)c3ccccc23 | InChi: | InChI=1S/C19H23NO2/c1-3-4-5-10-18(22)20-12-13(2)19-15-9-7-6-8-14(15)17(21)11-16(19)20/h6-9,11,13,21H,3-5,10,12H2,1-2H3/t13-/m1/s1 | Definition date: | 2015-08-11 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one |
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![N6L N6L](https://data.pdbj.org/pdbjplus/data/cc/svg/N6L.svg) | N6L | Name: | D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide | Formula: | C21 H23 Cl2 N3 O2 | SMILES: | O=C(NCc1cc(Cl)ccc1Cl)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | InChi: | InChI=1S/C21H23Cl2N3O2/c22-16-8-9-17(23)15(12-16)13-25-20(27)19-7-4-10-26(19)21(28)18(24)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,18-19H,4,7,10-11,13,24H2,(H,25,27)/t18-,19+/m1/s1 | Definition date: | 2014-12-12 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide |
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![41Z 41Z](https://data.pdbj.org/pdbjplus/data/cc/svg/41Z.svg) | 41Z | Name: | 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide | Formula: | C20 H21 N3 O | SMILES: | O=C(c1cccc2c(cc(nc12)C)NCc3c(cccc3C)C)N | InChi: | InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23) | Definition date: | 2015-01-17 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide |
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![4SX 4SX](https://data.pdbj.org/pdbjplus/data/cc/svg/4SX.svg) | 4SX | Name: | 3,4-dihydroxybenzenesulfonic acid | Formula: | C6 H6 O5 S | SMILES: | O=S(c1cc(c(cc1)O)O)(O)=O | InChi: | InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11) | Definition date: | 2015-04-07 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 3,4-dihydroxybenzenesulfonic acid |
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![50O 50O](https://data.pdbj.org/pdbjplus/data/cc/svg/50O.svg) | 50O | Name: | N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | Formula: | C20 H26 N6 O3 | SMILES: | C(N(C1CC1)C2CC2)(c3n(c5c(c3)c4c(ncn4C)c(n5)NC)CC(CO)O)=O | InChi: | InChI=1S/C20H26N6O3/c1-21-18-16-17(24(2)10-22-16)14-7-15(25(19(14)23-18)8-13(28)9-27)20(29)26(11-3-4-11)12-5-6-12/h7,10-13,27-28H,3-6,8-9H2,1-2H3,(H,21,23)/t13-/m0/s1 | Definition date: | 2015-07-08 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
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![50V 50V](https://data.pdbj.org/pdbjplus/data/cc/svg/50V.svg) | 50V | Name: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | Formula: | C23 H28 N8 O | SMILES: | n1(c4c(cc1C(=O)N(C2CC2)C3CC3)c6c(c(n4)Nc5cc(C)n(C)n5)ncn6C)CC | InChi: | InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27) | Definition date: | 2015-07-08 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
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![50W 50W](https://data.pdbj.org/pdbjplus/data/cc/svg/50W.svg) | 50W | Name: | N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | Formula: | C23 H27 N7 O S | SMILES: | C(c4n(CC)c1c(c3c(c(n1)Nc2sc(c(n2)C)C)ncn3C)c4)(=O)N(C5CC5)C6CC6 | InChi: | InChI=1S/C23H27N7OS/c1-5-29-17(22(31)30(14-6-7-14)15-8-9-15)10-16-19-18(24-11-28(19)4)20(26-21(16)29)27-23-25-12(2)13(3)32-23/h10-11,14-15H,5-9H2,1-4H3,(H,25,26,27) | Definition date: | 2015-07-08 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
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![50Y 50Y](https://data.pdbj.org/pdbjplus/data/cc/svg/50Y.svg) | 50Y | Name: | N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | Formula: | C22 H30 N6 O2 | SMILES: | CCn5c1c(c2c(c(n1)NCCCOC)ncn2C)cc5C(=O)N(C3CC3)C4CC4 | InChi: | InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25) | Definition date: | 2015-07-08 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
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![51W 51W](https://data.pdbj.org/pdbjplus/data/cc/svg/51W.svg) | 51W | Name: | N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide | Formula: | C18 H24 I N7 O | SMILES: | N(c1ncc(c(NCCCN)n1)I)c3cc(NC(N2CCCC2)=O)ccc3 | InChi: | InChI=1S/C18H24IN7O/c19-15-12-22-17(25-16(15)21-8-4-7-20)23-13-5-3-6-14(11-13)24-18(27)26-9-1-2-10-26/h3,5-6,11-12H,1-2,4,7-10,20H2,(H,24,27)(H2,21,22,23,25) | Definition date: | 2015-07-13 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide |
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![38D 38D](https://data.pdbj.org/pdbjplus/data/cc/svg/38D.svg) | 38D | Name: | N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide | Formula: | C14 H10 Cl2 N2 O3 | SMILES: | Clc2cc(Cl)ccc2/C=N/NC(=O)c1ccc(O)c(O)c1 | InChi: | InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+ | Definition date: | 2014-07-03 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide |
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![E21 E21](https://data.pdbj.org/pdbjplus/data/cc/svg/E21.svg) | E21 | Name: | 21-hydroxy-oligomycin | Formula: | C45 H74 O12 | SMILES: | CC1C3(OC2C(C1OC(=O)C=CC(C)C(O)C(C)C(=O)C(C(O)C(C)C(=O)C(C(O)C(CC=CC=CC(CC)C(O)C2)C)(C)O)C)C)OC(C(CC3)C)CC(C)O | InChi: | InChI=1S/C45H74O12/c1-12-33-17-15-13-14-16-26(4)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)25(3)18-19-37(48)55-41-28(6)36(23-34(33)47)57-45(32(41)10)21-20-24(2)35(56-45)22-27(5)46/h13-15,17-19,24-36,38,40-42,46-47,49,51-52,54H,12,16,20-23H2,1-11H3/b14-13+,17-15+,19-18+/t24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34+,35-,36-,38+,40+,41+,42-,44+,45+/m0/s1 | Definition date: | 2015-05-29 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22S,23R,25S,27R,28S,29R)-22-ethyl-7,11,14,15,23-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione |
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