![0KK 0KK](https://data.pdbj.org/pdbjplus/data/cc/svg/0KK.svg) | 0KK | Name: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | Formula: | C16 H15 N3 O | SMILES: | O=C2N(C(=[N@H])NC2(c1ccccc1)c3ccccc3)C | InChi: | InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) | Definition date: | 2012-02-03 | Last modified: | 2012-03-16 | Identifier: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one |
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![0KM 0KM](https://data.pdbj.org/pdbjplus/data/cc/svg/0KM.svg) | 0KM | Name: | (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one | Formula: | C23 H21 N3 O2 | SMILES: | O=C3N(C(=[N@H])NC3(c2cc(c1cccc(OC)c1)ccc2)c4ccccc4)C | InChi: | InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1 | Definition date: | 2012-02-03 | Last modified: | 2012-03-16 | Identifier: | (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one |
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![0KP 0KP](https://data.pdbj.org/pdbjplus/data/cc/svg/0KP.svg) | 0KP | Name: | (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one | Formula: | C21 H18 N4 O | SMILES: | O=C3N(C(=[N@H])NC3(c2cc(c1cccnc1)ccc2)c4ccccc4)C | InChi: | InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one |
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![0KQ 0KQ](https://data.pdbj.org/pdbjplus/data/cc/svg/0KQ.svg) | 0KQ | Name: | (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one | Formula: | C18 H17 Cl N4 O | SMILES: | O=C1N(C(=[N@H])NC1(c3cccc(c2cc(Cl)cnc2)c3)C4CC4)C | InChi: | InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t18-/m1/s1 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one |
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![0KR 0KR](https://data.pdbj.org/pdbjplus/data/cc/svg/0KR.svg) | 0KR | Name: | (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one | Formula: | C21 H20 N4 O | SMILES: | O=C1N(C(=[N@H])NC1(c3cccc(c2cc(C#CC)cnc2)c3)C4CC4)C | InChi: | InChI=1S/C21H20N4O/c1-3-5-14-10-16(13-23-12-14)15-6-4-7-18(11-15)21(17-8-9-17)19(26)25(2)20(22)24-21/h4,6-7,10-13,17H,8-9H2,1-2H3,(H2,22,24)/t21-/m1/s1 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one |
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![0KS 0KS](https://data.pdbj.org/pdbjplus/data/cc/svg/0KS.svg) | 0KS | Name: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide | Formula: | C16 H13 F6 N O3 S | SMILES: | O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C)c2ccccc2 | InChi: | InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide |
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![0KT 0KT](https://data.pdbj.org/pdbjplus/data/cc/svg/0KT.svg) | 0KT | Name: | N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide | Formula: | C22 H23 F3 N2 O4 S | SMILES: | O=S(=O)(c1ccccc1)N(c2ccc(cc2)C(O)(c3cccn3CCOC)C(F)(F)F)C | InChi: | InChI=1S/C22H23F3N2O4S/c1-26(32(29,30)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(28,22(23,24)25)20-9-6-14-27(20)15-16-31-2/h3-14,28H,15-16H2,1-2H3/t21-/m0/s1 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide |
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![0KY 0KY](https://data.pdbj.org/pdbjplus/data/cc/svg/0KY.svg) | 0KY | Name: | 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one | Formula: | C10 H14 N4 O2 S | SMILES: | O=C2c1ncnc1N(C(=S)N2)CC(OCC)C | InChi: | InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m1/s1 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one |
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![0L9 0L9](https://data.pdbj.org/pdbjplus/data/cc/svg/0L9.svg) | 0L9 | Name: | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid | Formula: | C19 H15 Br Cl N O3 | SMILES: | O=C(O)C(OC)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3 | InChi: | InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1 | Definition date: | 2012-02-10 | Last modified: | 2012-03-16 | Identifier: | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid |
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![6AI 6AI](https://data.pdbj.org/pdbjplus/data/cc/svg/6AI.svg) | 6AI | Name: | 1H-indazol-6-amine | Formula: | C7 H7 N3 | SMILES: | n2cc1ccc(cc1n2)N | InChi: | InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10) | Definition date: | 2011-03-22 | Last modified: | 2012-03-16 | Identifier: | 1H-indazol-6-amine |
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![5AO 5AO](https://data.pdbj.org/pdbjplus/data/cc/svg/5AO.svg) | 5AO | Name: | 3-(1,3-oxazol-5-yl)aniline | Formula: | C9 H8 N2 O | SMILES: | n1cc(oc1)c2cc(ccc2)N | InChi: | InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2 | Definition date: | 2011-04-01 | Last modified: | 2012-03-16 | Identifier: | 3-(1,3-oxazol-5-yl)aniline |
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![4SO 4SO](https://data.pdbj.org/pdbjplus/data/cc/svg/4SO.svg) | 4SO | Name: | 4-sulfamoylbenzoic acid | Formula: | C7 H7 N O4 S | SMILES: | O=S(=O)(N)c1ccc(C(=O)O)cc1 | InChi: | InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12) | Definition date: | 2011-03-22 | Last modified: | 2012-03-16 | Identifier: | 4-sulfamoylbenzoic acid |
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![BS4 BS4](https://data.pdbj.org/pdbjplus/data/cc/svg/BS4.svg) | BS4 | Name: | N-[(4-aminophenyl)sulfonyl]benzamide | Formula: | C13 H12 N2 O3 S | SMILES: | O=S(=O)(NC(=O)c1ccccc1)c2ccc(N)cc2 | InChi: | InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16) | Definition date: | 2011-04-01 | Last modified: | 2012-03-16 | Identifier: | N-[(4-aminophenyl)sulfonyl]benzamide |
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![FHA FHA](https://data.pdbj.org/pdbjplus/data/cc/svg/FHA.svg) | FHA | Name: | 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine | Formula: | C11 H17 F N5 O11 P3 | SMILES: | O=P(O)(O)OP(=O)(O)C(F)P(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | InChi: | InChI=1S/C11H17FN5O11P3/c12-11(30(21,22)28-31(23,24)25)29(19,20)26-2-6-5(18)1-7(27-6)17-4-16-8-9(13)14-3-15-10(8)17/h3-7,11,18H,1-2H2,(H,19,20)(H,21,22)(H2,13,14,15)(H2,23,24,25)/t5-,6+,7+,11-/m0/s1 | Definition date: | 2011-09-07 | Last modified: | 2012-03-16 | Identifier: | 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine |
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![F3A F3A](https://data.pdbj.org/pdbjplus/data/cc/svg/F3A.svg) | F3A | Name: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine | Formula: | C11 H16 F2 N5 O11 P3 | SMILES: | O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | InChi: | InChI=1S/C11H16F2N5O11P3/c12-11(13,31(22,23)29-32(24,25)26)30(20,21)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,20,21)(H,22,23)(H2,14,15,16)(H2,24,25,26)/t5-,6+,7+/m0/s1 | Definition date: | 2011-09-07 | Last modified: | 2012-03-16 | Identifier: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine |
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![JDC JDC](https://data.pdbj.org/pdbjplus/data/cc/svg/JDC.svg) | JDC | Name: | (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | Formula: | C28 H39 N3 O3 | SMILES: | O=C(NC(CN2CCC(c1cccc(O)c1)(C(C2)C)C)C(C)C)C4NCc3cc(O)ccc3C4 | InChi: | InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1 | Definition date: | 2012-02-02 | Last modified: | 2012-03-16 | Identifier: | (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
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![TXA TXA](https://data.pdbj.org/pdbjplus/data/cc/svg/TXA.svg) | TXA | Name: | threonylcarbamoyladenylate | Formula: | C15 H21 N6 O11 P | SMILES: | O=C(O)C(NC(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(O)C | InChi: | InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1 | Definition date: | 2012-03-07 | Last modified: | 2012-03-09 | Identifier: | (3R,7S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-hydroxy-7-[(1R)-1-hydroxyethyl]-5-oxo-2,4-dioxa-6-aza-3-phosphaoctan-8-oic acid 3-oxide (non-preferred name) |
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![YEX YEX](https://data.pdbj.org/pdbjplus/data/cc/svg/YEX.svg) | YEX | Name: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE | Formula: | C15 H12 N4 O | SMILES: | O=C1N2c4c(C(=CC2=NN1)C)ccc(c3cccn3)c4 | InChi: | InChI=1S/C15H12N4O/c1-9-7-14-17-18-15(20)19(14)13-8-10(4-5-11(9)13)12-3-2-6-16-12/h2-8,16H,1H3,(H,18,20) | Definition date: | 2011-03-31 | Last modified: | 2012-03-09 | Identifier: | 5-methyl-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one |
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![5N5 5N5](https://data.pdbj.org/pdbjplus/data/cc/svg/5N5.svg) | 5N5 | Name: | 5'-amino-5'-deoxyadenosine | Formula: | C10 H14 N6 O3 | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN)N | InChi: | InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2012-01-06 | Last modified: | 2012-03-09 | Identifier: | 5'-amino-5'-deoxyadenosine |
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![5NB 5NB](https://data.pdbj.org/pdbjplus/data/cc/svg/5NB.svg) | 5NB | Name: | 5'-amino-8-bromo-5'-deoxyadenosine | Formula: | C10 H13 Br N6 O3 | SMILES: | Brc2nc1c(ncnc1n2C3OC(C(O)C3O)CN)N | InChi: | InChI=1S/C10H13BrN6O3/c11-10-16-4-7(13)14-2-15-8(4)17(10)9-6(19)5(18)3(1-12)20-9/h2-3,5-6,9,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2012-01-06 | Last modified: | 2012-03-09 | Identifier: | 5'-amino-8-bromo-5'-deoxyadenosine |
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![XHP XHP](https://data.pdbj.org/pdbjplus/data/cc/svg/XHP.svg) | XHP | Name: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one | Formula: | C7 H7 N5 O | SMILES: | O=C1C2=NC(=C)CN=C2N=C(N)N1 | InChi: | InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h1-2H2,(H3,8,9,11,12,13) | Definition date: | 2011-10-12 | Last modified: | 2012-03-09 | Identifier: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one |
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![UW9 UW9](https://data.pdbj.org/pdbjplus/data/cc/svg/UW9.svg) | UW9 | Name: | 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C24 H30 N6 O | SMILES: | n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC(N(C)C)C(C)C)N | InChi: | InChI=1S/C24H30N6O/c1-6-31-19-10-9-16-11-18(8-7-17(16)12-19)22-21-23(25)26-14-27-24(21)30(28-22)13-20(15(2)3)29(4)5/h7-12,14-15,20H,6,13H2,1-5H3,(H2,25,26,27)/t20-/m1/s1 | Definition date: | 2011-12-23 | Last modified: | 2012-03-09 | Identifier: | 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![TQ1 TQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/TQ1.svg) | TQ1 | Name: | 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE | Formula: | C15 H12 N4 O2 | SMILES: | O=C1N2c4c(C(=CC2=NN1)CO)ccc(c3cccn3)c4 | InChi: | InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21) | Definition date: | 2011-03-30 | Last modified: | 2012-03-09 | Identifier: | 5-(hydroxymethyl)-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one |
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![08R 08R](https://data.pdbj.org/pdbjplus/data/cc/svg/08R.svg) | 08R | Name: | 6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | Formula: | C21 H30 N4 O2 | SMILES: | O(CCNCc1ccccc1OC)C2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1 | Definition date: | 2011-10-18 | Last modified: | 2012-03-09 | Identifier: | 6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
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![XTZ XTZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XTZ.svg) | XTZ | Name: | 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide | Formula: | C16 H16 N8 O3 S2 | SMILES: | O=S(=O)(Nc1nccs1)c4ccc(NCC3=NC2=C(N=C(N)NC2=O)NC3)cc4 | InChi: | InChI=1S/C16H16N8O3S2/c17-15-22-13-12(14(25)23-15)21-10(8-20-13)7-19-9-1-3-11(4-2-9)29(26,27)24-16-18-5-6-28-16/h1-6,19H,7-8H2,(H,18,24)(H4,17,20,22,23,25) | Definition date: | 2011-10-14 | Last modified: | 2012-03-09 | Identifier: | 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide |
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