| General Property |
| Molceule ID (DB) | EGIN0002556 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | 4-({2-methoxy-4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoic acid |
| Formula | C16H13NO8S |
| Mass | 379.341 |
| Exact Mass | 379.0361871 |
| Composition | C (50.66%), H (3.45%), N (3.69%), O (33.74%), S (8.45%) |
| Atom Count | 39 |
| PI | No isoelectric point. |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1c(cc(cc1)/C=C/[N+](=O)[O-])OC)C(=O)O |
| InChI | 1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3
,(H,18,19)/b9-8+ |
| InChIKey | FMXXONPXMIWVBT-CMDGGOBGSA-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 |
14862523
|
| Drug Bank Link | - |
| ChemSpider Link | 23167144 |
| ChEMBL Link | CHEMBL418907 |
