| General Property |
| Molceule ID (DB) | EGIN0002562 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | methyl 2-hydroxy-4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoate |
| 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 | 2.04 |
| Smiles | c1(c(cc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])O)C(=O)OC |
| InChI | 1S/C16H13NO8S/c1-24-16(19)14-7-6-13(10-15(14)18)26(22,23)25-12-4-2-11(3-5-12)8-9-17(20)21/h2-10,18H,
1H3/b9-8+ |
| InChIKey | OZJIJKIJHCJHHV-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 | |
| Pub Chem Link |
14862528
|
| Drug Bank Link | - |
| ChemSpider Link | 23167178 |
| ChEMBL Link | CHEMBL76929 |
