| General Property |
| Molceule ID (DB) | EGIN0002570 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 4-[(1E)-prop-1-en-1-yl]phenyl 4-[(2-aminoethyl)carbamoyl]benzene-1-sulfonate |
| Formula | C18H20N2O4S |
| Mass | 360.427 |
| Exact Mass | 360.1143778 |
| Composition | C (59.98%), H (5.59%), N (7.77%), O (17.76%), S (8.9%) |
| Atom Count | 45 |
| PI | 11.46 |
| Smiles | c1cc(ccc1OS(=O)(=O)c1ccc(cc1)C(=O)NCCN)/C=C/C |
| InChI | 1S/C18H20N2O4S/c1-2-3-14-4-8-16(9-5-14)24-25(22,23)17-10-6-15(7-11-17)18(21)20-13-12-19/h2-11H,12-13
,19H2,1H3,(H,20,21)/b3-2+ |
| InChIKey | CKBRFNFSGOYEKD-NSCUHMNNSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL309075 |
