| General Property |
| Molceule ID (DB) | EGIN0002564 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | [(2R,3S,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-({2-methoxy-4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoate |
| Formula | C26H24N6O11S |
| Mass | 628.567 |
| Exact Mass | 628.1223763 |
| Composition | C (49.68%), H (3.85%), N (13.37%), O (28%), S (5.1%) |
| Atom Count | 68 |
| PI | 8.79 |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1c(cc(cc1)/C=C/[N+](=O)[O-])OC)C(=O)OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)n1c2ncnc(c2nc1)N |
| InChI | 1S/C26H24N6O11S/c1-40-18-10-14(8-9-32(36)37)2-7-17(18)43-44(38,39)16-5-3-15(4-6-16)26(35)41-11-19-21
(33)22(34)25(42-19)31-13-30-20-23(27)28-12-29-24(20)31/h2-10,12-13,19,21-22,25,33-34H,11H2,1H3,(H2,2
7,28,29)/b9-8+/t19-,21-,22+,25+/m1/s1 |
| InChIKey | UTMLAQRGHJCWRX-IXFNQXGXSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 1652014 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | v-ab1 | PKC | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24688590 24657114 |
| ChEMBL Link | CHEMBL608896 |
