| General Property |
| Molceule ID (DB) | EGIN0002735 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | 4-({4-[(2R)-3-(dimethylamino)-2-methylpropanoyl]phenoxy}sulfonyl)benzoic acid |
| Formula | C19H21NO6S |
| Mass | 391.438 |
| Exact Mass | 391.1089581 |
| Composition | C (58.3%), H (5.41%), N (3.58%), O (24.52%), S (8.19%) |
| Atom Count | 48 |
| PI | 5.98 |
| Smiles | c1cc(ccc1C(=O)[C@@H](CN(C)C)C)OS(=O)(=O)c1ccc(cc1)C(=O)O |
| InChI | 1S/C19H21NO6S/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/h4-11,1
3H,12H2,1-3H3,(H,22,23)/t13-/m1/s1 |
| InChIKey | SZUHJWJQFZTBMP-CYBMUJFWSA-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 | No activity data against other kinases present in database |
| Pub Chem Link |
23240660
|
| Drug Bank Link | - |
| ChemSpider Link | 8650958 |
| ChEMBL Link | CHEMBL1192376 |
