| General Property |
| Molceule ID (DB) | EGIN0002559 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | 3-hydroxy-4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoic acid |
| Formula | C15H11NO8S |
| Mass | 365.315 |
| Exact Mass | 365.020537 |
| Composition | C (49.32%), H (3.04%), N (3.83%), O (35.04%), S (8.78%) |
| Atom Count | 36 |
| PI | No isoelectric point. |
| Smiles | c1(cc(c(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])O)C(=O)O |
| InChI | 1S/C15H11NO8S/c17-13-9-11(15(18)19)3-6-14(13)25(22,23)24-12-4-1-10(2-5-12)7-8-16(20)21/h1-9,17H,(H,1
8,19)/b8-7+ |
| InChIKey | YAXWAIVSNHQNLF-BQYQJAHWSA-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 |
14862525
|
| Drug Bank Link | - |
| ChemSpider Link | 23167142 |
| ChEMBL Link | CHEMBL77688 |
