| General Property |
| Molceule ID (DB) | EGIN0002721 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 4-[(4-{2-[(dimethylamino)methyl]prop-2-enoyl}phenoxy)sulfonyl]benzoic acid |
| Formula | C19H19NO6S |
| Mass | 389.422 |
| Exact Mass | 389.093308 |
| Composition | C (58.6%), H (4.92%), N (3.6%), O (24.65%), S (8.23%) |
| Atom Count | 46 |
| PI | 5.52 |
| Smiles | CN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2ccc(cc2)C(=O)O)cc1 |
| InChI | 1S/C19H19NO6S/c1-13(12-20(2)3)18(21)14-4-8-16(9-5-14)26-27(24,25)17-10-6-15(7-11-17)19(22)23/h4-11H,
1,12H2,2-3H3,(H,22,23) |
| InChIKey | UPVWXHAZXKGELN-UHFFFAOYSA-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 | 7608909 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src | PKC | v-ab1 | ALL |
| Pub Chem Link |
10318154
|
| Drug Bank Link | - |
| ChemSpider Link | 8493618 |
| ChEMBL Link | CHEMBL80030 |
