| General Property |
| Molceule ID (DB) | EGIN0002557 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | 4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoic acid |
| Formula | C15H11NO7S |
| Mass | 349.315 |
| Exact Mass | 349.0256224 |
| Composition | C (51.58%), H (3.17%), N (4.01%), O (32.06%), S (9.18%) |
| Atom Count | 35 |
| PI | No isoelectric point. |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])C(=O)O |
| InChI | 1S/C15H11NO7S/c17-15(18)12-3-7-14(8-4-12)24(21,22)23-13-5-1-11(2-6-13)9-10-16(19)20/h1-10H,(H,17,18)
/b10-9+ |
| InChIKey | JJLJZGDGOYIKBT-MDZDMXLPSA-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 | PKC | v-ab1 | ALL |
| Pub Chem Link |
14862522
|
| Drug Bank Link | - |
| ChemSpider Link | 23167096 |
| ChEMBL Link | CHEMBL76958 |
