| General Property |
| Molceule ID (DB) | EGIN0002566 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | 4-[(E)-2-nitroethenyl]phenyl 4-(butylcarbamoyl)benzene-1-sulfonate |
| Formula | C19H20N2O6S |
| Mass | 404.437 |
| Exact Mass | 404.1042071 |
| Composition | C (56.42%), H (4.98%), N (6.93%), O (23.74%), S (7.93%) |
| Atom Count | 48 |
| PI | 6.48 |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])C(=O)NCCCC |
| InChI | 1S/C19H20N2O6S/c1-2-3-13-20-19(22)16-6-10-18(11-7-16)28(25,26)27-17-8-4-15(5-9-17)12-14-21(23)24/h4-
12,14H,2-3,13H2,1H3,(H,20,22)/b14-12+ |
| InChIKey | IYYHYDARBKIAKE-WYMLVPIESA-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 |
14862537
|
| Drug Bank Link | - |
| ChemSpider Link | 23167179 |
| ChEMBL Link | CHEMBL77100 |
