| General Property |
| Molceule ID (DB) | EGIN0002560 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 4-({2-methoxy-4-[(1E)-2-nitroprop-1-en-1-yl]phenoxy}sulfonyl)benzoic acid |
| Formula | C17H15NO8S |
| Mass | 393.368 |
| Exact Mass | 393.0518372 |
| Composition | C (51.91%), H (3.84%), N (3.56%), O (32.54%), S (8.15%) |
| Atom Count | 42 |
| PI | No isoelectric point. |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1c(cc(cc1)/C=C(/[N+](=O)[O-])C)OC)C(=O)O |
| InChI | 1S/C17H15NO8S/c1-11(18(21)22)9-12-3-8-15(16(10-12)25-2)26-27(23,24)14-6-4-13(5-7-14)17(19)20/h3-10H,
1-2H3,(H,19,20)/b11-9+ |
| InChIKey | DTTGVLOBAUUKMP-PKNBQFBNSA-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 | No activity data against other kinases present in database |
| Pub Chem Link |
14862526
|
| Drug Bank Link | - |
| ChemSpider Link | 23167399 |
| ChEMBL Link | CHEMBL77397 |
