| General Property |
| Molceule ID (DB) | EGIN0002722 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | 4-[(4-{2-[(dimethylamino)methyl]prop-2-enoyl}phenoxy)sulfonyl]-2-hydroxybenzoic acid |
| Formula | C19H19NO7S |
| Mass | 405.422 |
| Exact Mass | 405.0882227 |
| Composition | C (56.29%), H (4.72%), N (3.45%), O (27.62%), S (7.91%) |
| Atom Count | 47 |
| PI | 4.89 |
| Smiles | CN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2cc(c(cc2)C(=O)O)O)cc1 |
| InChI | 1S/C19H19NO7S/c1-12(11-20(2)3)18(22)13-4-6-14(7-5-13)27-28(25,26)15-8-9-16(19(23)24)17(21)10-15/h4-1
0,21H,1,11H2,2-3H3,(H,23,24) |
| InChIKey | XXJAESUNECCYKY-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 | v-ab1 | PKC | c-Src | ALL |
| Pub Chem Link |
10408993
|
| Drug Bank Link | - |
| ChemSpider Link | 8584430 |
| ChEMBL Link | CHEMBL310580 |
