| General Property |
| Molceule ID (DB) | EGIN0002561 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | methyl 4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoate |
| Formula | C16H13NO7S |
| Mass | 363.342 |
| Exact Mass | 363.0412725 |
| Composition | C (52.89%), H (3.61%), N (3.85%), O (30.82%), S (8.83%) |
| Atom Count | 38 |
| PI | No isoelectric point. |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])C(=O)OC |
| InChI | 1S/C16H13NO7S/c1-23-16(18)13-4-8-15(9-5-13)25(21,22)24-14-6-2-12(3-7-14)10-11-17(19)20/h2-11H,1H3/b1
1-10+ |
| InChIKey | XLJNWAWRWXOCLS-ZHACJKMWSA-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 |
14862527
|
| Drug Bank Link | - |
| ChemSpider Link | 23167166 |
| ChEMBL Link | CHEMBL77401 |
