| General Property |
| Molceule ID (DB) | EGIN0002563 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | [(2R,3S,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoate |
| Formula | C25H22N6O10S |
| Mass | 598.541 |
| Exact Mass | 598.1118116 |
| Composition | C (50.17%), H (3.7%), N (14.04%), O (26.73%), S (5.36%) |
| Atom Count | 64 |
| PI | 8.79 |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])C(=O)OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)n1c2ncnc(c2nc1)N |
| InChI | 1S/C25H22N6O10S/c26-22-19-23(28-12-27-22)30(13-29-19)24-21(33)20(32)18(40-24)11-39-25(34)15-3-7-17(8
-4-15)42(37,38)41-16-5-1-14(2-6-16)9-10-31(35)36/h1-10,12-13,18,20-21,24,32-33H,11H2,(H2,26,27,28)/b
10-9+/t18-,20-,21+,24+/m1/s1 |
| InChIKey | UHYWUEAMUOPMRO-DZXXQZOMSA-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 | 24712285 24673664 |
| ChEMBL Link | CHEMBL610365 |
