![3MX 3MX](https://data.pdbj.org/pdbjplus/data/cc/svg/3MX.svg) | 3MX | Name: | 1-(3,4,5-trihydroxyphenyl)decan-1-one | Formula: | C16 H24 O4 | SMILES: | O=C(c1cc(O)c(O)c(O)c1)CCCCCCCCC | InChi: | InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-13(17)12-10-14(18)16(20)15(19)11-12/h10-11,18-20H,2-9H2,1H3 | Definition date: | 2014-09-25 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 1-(3,4,5-trihydroxyphenyl)decan-1-one |
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![3MZ 3MZ](https://data.pdbj.org/pdbjplus/data/cc/svg/3MZ.svg) | 3MZ | Name: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one | Formula: | C15 H22 O4 | SMILES: | O=C(c1c(O)c(O)c(O)cc1)CCCCCCCC | InChi: | InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-10-13(17)15(19)14(11)18/h9-10,17-19H,2-8H2,1H3 | Definition date: | 2014-09-24 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one |
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![3N0 3N0](https://data.pdbj.org/pdbjplus/data/cc/svg/3N0.svg) | 3N0 | Name: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one | Formula: | C12 H16 O4 | SMILES: | O=C(c1cc(O)c(O)c(O)c1)CCCCC | InChi: | InChI=1S/C12H16O4/c1-2-3-4-5-9(13)8-6-10(14)12(16)11(15)7-8/h6-7,14-16H,2-5H2,1H3 | Definition date: | 2014-09-25 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one |
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![3NB 3NB](https://data.pdbj.org/pdbjplus/data/cc/svg/3NB.svg) | 3NB | Name: | 1-(3,4,5-trihydroxyphenyl)octan-1-one | Formula: | C14 H20 O4 | SMILES: | O=C(c1cc(O)c(O)c(O)c1)CCCCCCC | InChi: | InChI=1S/C14H20O4/c1-2-3-4-5-6-7-11(15)10-8-12(16)14(18)13(17)9-10/h8-9,16-18H,2-7H2,1H3 | Definition date: | 2014-09-26 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 1-(3,4,5-trihydroxyphenyl)octan-1-one |
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![AWB AWB](https://data.pdbj.org/pdbjplus/data/cc/svg/AWB.svg) | AWB | Name: | [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate | Formula: | C28 H40 N2 O9 | SMILES: | CCCCCC[CH]1[CH](OC(=O)CC(C)C)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O | InChi: | InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1 | Definition date: | 2015-08-28 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate |
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![B2Z B2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/B2Z.svg) | B2Z | Name: | (3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE) | Formula: | C19 H20 F N3 O2 | SMILES: | C[CH](CC(=O)N[CH](C)c1ccc2NC(=O)Nc2c1)c3ccccc3F | InChi: | InChI=1S/C19H20FN3O2/c1-11(14-5-3-4-6-15(14)20)9-18(24)21-12(2)13-7-8-16-17(10-13)23-19(25)22-16/h3-8,10-12H,9H2,1-2H3,(H,21,24)(H2,22,23,25)/t11-,12+/m0/s1 | Definition date: | 2015-08-25 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | (3S)-3-(2-fluorophenyl)-N-[(1R)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]butanamide |
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![FYC FYC](https://data.pdbj.org/pdbjplus/data/cc/svg/FYC.svg) | FYC | Name: | 3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide | Formula: | C18 H16 F N3 O2 | SMILES: | CC(=Cc1ccccc1F)C(=O)NCc2ccc3NC(=O)Nc3c2 | InChi: | InChI=1S/C18H16FN3O2/c1-11(8-13-4-2-3-5-14(13)19)17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-9H,10H2,1H3,(H,20,23)(H2,21,22,24)/b11-8+ | Definition date: | 2015-08-25 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | (E)-3-(2-fluorophenyl)-2-methyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]prop-2-enamide |
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![G0P G0P](https://data.pdbj.org/pdbjplus/data/cc/svg/G0P.svg) | G0P | Name: | N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide | Formula: | C23 H35 N3 O8 | SMILES: | C1CCCN1C(=O)C(CCCCN)NC(=O)c2ccc(cc2)OC3OC(CO)C(C(C3O)O)O | InChi: | InChI=1S/C23H35N3O8/c24-10-2-1-5-16(22(32)26-11-3-4-12-26)25-21(31)14-6-8-15(9-7-14)33-23-20(30)19(29)18(28)17(13-27)34-23/h6-9,16-20,23,27-30H,1-5,10-13,24H2,(H,25,31)/t16-,17+,18-,19-,20+,23+/m0/s1 | Definition date: | 2015-03-20 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide |
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![2O2 2O2](https://data.pdbj.org/pdbjplus/data/cc/svg/2O2.svg) | 2O2 | Name: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione | Formula: | C18 H20 N2 O11 P2 | SMILES: | O=P(O)(O)/C=C/C1=CN(C(=O)NC1=O)C4OC2C(OC(OC2)(c3ccccc3)P(=O)(O)O)C4 | InChi: | InChI=1S/C18H20N2O11P2/c21-16-11(6-7-32(23,24)25)9-20(17(22)19-16)15-8-13-14(30-15)10-29-18(31-13,33(26,27)28)12-4-2-1-3-5-12/h1-7,9,13-15H,8,10H2,(H,19,21,22)(H2,23,24,25)(H2,26,27,28)/b7-6+/t13-,14-,15-,18-/m1/s1 | Definition date: | 2013-12-12 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione |
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![4J0 4J0](https://data.pdbj.org/pdbjplus/data/cc/svg/4J0.svg) | 4J0 | Name: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] | Formula: | C44 H68 N12 O24 | SMILES: | OC1C(O)C(O)C(CO)OC1OCCCc2cn(nn2)C3C(C(O)C(OC3CO)c4cn(nn4)C5C(C(O)C(OC5CO)n6cc(nn6)C7C(C(O)C(C(O7)CO)n8nnc(c8)CCCOC9OC(CO)C(O)C(O)C9O)O)O)O | InChi: | InChI=1S/C44H68N12O24/c57-11-20-25(53-7-16(45-49-53)3-1-5-74-43-38(72)33(67)28(62)23(14-60)79-43)30(64)35(69)40(76-20)18-9-55(51-47-18)27-22(13-59)78-42(37(71)32(27)66)56-10-19(48-52-56)41-36(70)31(65)26(21(12-58)77-41)54-8-17(46-50-54)4-2-6-75-44-39(73)34(68)29(63)24(15-61)80-44/h7-10,20-44,57-73H,1-6,11-15H2/t20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-/m1/s1 | Definition date: | 2015-03-20 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) |
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![4J9 4J9](https://data.pdbj.org/pdbjplus/data/cc/svg/4J9.svg) | 4J9 | Name: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] | Formula: | C40 H60 N12 O24 | SMILES: | C9(n2cc(COC1OC(C(O)C(O)C1O)CO)nn2)C(O)C(C(c3cn(nn3)C8C(C(O)C(n7cc(C6OC(C(n4cc(nn4)COC5OC(C(O)C(O)C5O)CO)C(O)C6O)CO)nn7)OC8CO)O)OC9CO)O | InChi: | InChI=1S/C40H60N12O24/c53-5-16-21(49-1-12(41-45-49)10-70-39-34(68)29(63)24(58)19(8-56)75-39)26(60)31(65)36(72-16)14-3-51(47-43-14)23-18(7-55)74-38(33(67)28(23)62)52-4-15(44-48-52)37-32(66)27(61)22(17(6-54)73-37)50-2-13(42-46-50)11-71-40-35(69)30(64)25(59)20(9-57)76-40/h1-4,16-40,53-69H,5-11H2/t16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-/m1/s1 | Definition date: | 2015-03-20 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) |
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![4JT 4JT](https://data.pdbj.org/pdbjplus/data/cc/svg/4JT.svg) | 4JT | Name: | 2H-1,4-benzothiazin-3-amine | Formula: | C8 H8 N2 S | SMILES: | c1ccc2c(c1)N=C(CS2)N | InChi: | InChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10) | Definition date: | 2015-03-24 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 2H-1,4-benzothiazin-3-amine |
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![4JU 4JU](https://data.pdbj.org/pdbjplus/data/cc/svg/4JU.svg) | 4JU | Name: | trans-4-methylcyclohexanamine | Formula: | C7 H15 N | SMILES: | NC1CCC(CC1)C | InChi: | InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7- | Definition date: | 2015-03-24 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | trans-4-methylcyclohexanamine |
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![4JV 4JV](https://data.pdbj.org/pdbjplus/data/cc/svg/4JV.svg) | 4JV | Name: | 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine | Formula: | C16 H16 N4 O | SMILES: | c1cc(c2c(N)nc(N)nc2c1)OCc3ccc(cc3)C | InChi: | InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20) | Definition date: | 2015-03-24 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine |
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![HTB HTB](https://data.pdbj.org/pdbjplus/data/cc/svg/HTB.svg) | HTB | Name: | N-(1-benzofuran-2-ylmethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine | Formula: | C29 H35 N3 O | SMILES: | n2c1c(cccc1)c(c3c2CCCC3)NCCCCCCCNCc5oc4ccccc4c5 | InChi: | InChI=1S/C29H35N3O/c1(2-10-18-30-21-23-20-22-12-4-9-17-28(22)33-23)3-11-19-31-29-24-13-5-7-15-26(24)32-27-16-8-6-14-25(27)29/h4-5,7,9,12-13,15,17,20,30H,1-3,6,8,10-11,14,16,18-19,21H2,(H,31,32) | Definition date: | 2014-08-21 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | N-(1-benzofuran-2-ylmethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine |
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![44K 44K](https://data.pdbj.org/pdbjplus/data/cc/svg/44K.svg) | 44K | Name: | N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Formula: | C21 H31 N9 O4 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5CCC(n3c4ncnc(N)c4nc3)C5 | InChi: | InChI=1S/C21H31N9O4S2/c22-19-18-20(24-10-23-19)30(11-25-18)13-6-5-12(7-13)8-26-36(33,34)29-16(31)4-2-1-3-15-17-14(9-35-15)27-21(32)28-17/h10-15,17,26H,1-9H2,(H,29,31)(H2,22,23,24)(H2,27,28,32)/t12-,13+,14+,15+,17+/m1/s1 | Definition date: | 2015-02-04 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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![44L 44L](https://data.pdbj.org/pdbjplus/data/cc/svg/44L.svg) | 44L | Name: | 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine | Formula: | C20 H28 F N9 O6 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C(F)C5O | InChi: | InChI=1S/C20H28FN9O6S2/c21-13-16(32)10(36-19(13)30-8-25-15-17(22)23-7-24-18(15)30)5-26-38(34,35)29-12(31)4-2-1-3-11-14-9(6-37-11)27-20(33)28-14/h7-11,13-14,16,19,26,32H,1-6H2,(H,29,31)(H2,22,23,24)(H2,27,28,33)/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: | 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine |
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![44N 44N](https://data.pdbj.org/pdbjplus/data/cc/svg/44N.svg) | 44N | Name: | 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine | Formula: | C21 H30 N8 O8 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)(C)C5O | InChi: | InChI=1S/C21H30N8O8S2/c1-21(33)16(31)11(37-19(21)29-9-25-15-17(22)23-8-24-18(15)29)6-36-39(34,35)28-13(30)5-3-2-4-12-14-10(7-38-12)26-20(32)27-14/h8-12,14,16,19,31,33H,2-7H2,1H3,(H,28,30)(H2,22,23,24)(H2,26,27,32)/t10-,11+,12-,14-,16+,19+,21+/m0/s1 | Definition date: | 2015-02-04 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine |
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![44O 44O](https://data.pdbj.org/pdbjplus/data/cc/svg/44O.svg) | 44O | Name: | [(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate | Formula: | C20 H29 N9 O6 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)OCC5OC(n3c4ncnc(N)c4nc3)CNC5 | InChi: | InChI=1S/C20H29N9O6S2/c21-18-17-19(24-9-23-18)29(10-25-17)15-6-22-5-11(35-15)7-34-37(32,33)28-14(30)4-2-1-3-13-16-12(8-36-13)26-20(31)27-16/h9-13,15-16,22H,1-8H2,(H,28,30)(H2,21,23,24)(H2,26,27,31)/t11-,12-,13-,15+,16-/m0/s1 | Definition date: | 2015-02-04 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | [(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate |
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![44Q 44Q](https://data.pdbj.org/pdbjplus/data/cc/svg/44Q.svg) | 44Q | Name: | 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine | Formula: | C20 H29 N9 O6 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C(O)C5 | InChi: | InChI=1S/C20H29N9O6S2/c21-17-16-18(23-8-22-17)29(9-24-16)19-12(30)5-10(35-19)6-25-37(33,34)28-14(31)4-2-1-3-13-15-11(7-36-13)26-20(32)27-15/h8-13,15,19,25,30H,1-7H2,(H,28,31)(H2,21,22,23)(H2,26,27,32)/t10-,11-,12+,13-,15-,19+/m0/s1 | Definition date: | 2015-02-04 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine |
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![44R 44R](https://data.pdbj.org/pdbjplus/data/cc/svg/44R.svg) | 44R | Name: | N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Formula: | C18 H27 N9 O5 S2 | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCCOCn3c4ncnc(N)c4nc3 | InChi: | InChI=1S/C18H27N9O5S2/c19-16-15-17(21-8-20-16)27(9-22-15)10-32-6-5-23-34(30,31)26-13(28)4-2-1-3-12-14-11(7-33-12)24-18(29)25-14/h8-9,11-12,14,23H,1-7,10H2,(H,26,28)(H2,19,20,21)(H2,24,25,29)/t11-,12-,14-/m0/s1 | Definition date: | 2015-02-04 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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![563 563](https://data.pdbj.org/pdbjplus/data/cc/svg/563.svg) | 563 | Name: | N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide | Formula: | C22 H26 N8 O2 | SMILES: | c2(cc(Nc1cc(nn1)C)nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C | InChi: | InChI=1S/C22H26N8O2/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h4-8,13-14H,1,9-12H2,2-3H3,(H,23,31)(H2,24,25,26,27,28) | Definition date: | 2015-08-03 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide |
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![57T 57T](https://data.pdbj.org/pdbjplus/data/cc/svg/57T.svg) | 57T | Name: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid] | Formula: | C18 H12 I2 O4 S2 | SMILES: | c1c(ccc(c1)I)[C@H]=C(C(O)=O)SSC(C(O)=O)=[C@H]c2ccc(cc2)I | InChi: | InChI=1S/C18H12I2O4S2/c19-13-5-1-11(2-6-13)9-15(17(21)22)25-26-16(18(23)24)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,22)(H,23,24)/b15-9-,16-10+ | Definition date: | 2015-08-12 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid] |
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![583 583](https://data.pdbj.org/pdbjplus/data/cc/svg/583.svg) | 583 | Name: | 4,4'-(1H-pyrazole-3,4-diyl)diphenol | Formula: | C15 H12 N2 O2 | SMILES: | c1(c(nnc1)c2ccc(O)cc2)c3ccc(O)cc3 | InChi: | InChI=1S/C15H12N2O2/c18-12-5-1-10(2-6-12)14-9-16-17-15(14)11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17) | Definition date: | 2015-08-19 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | 4,4'-(1H-pyrazole-3,4-diyl)diphenol |
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![584 584](https://data.pdbj.org/pdbjplus/data/cc/svg/584.svg) | 584 | Name: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one | Formula: | C19 H23 F2 N5 O2 | SMILES: | c2(Nc1cc(F)c(O)c(c1)F)ncc3c(n2)N(CCC(C)C)C(C(=O)N3C)C | InChi: | InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m1/s1 | Definition date: | 2015-08-19 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one |
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