| General Property |
| Molceule ID (DB) | EGIN0002723 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 4-{2-[(dimethylamino)methyl]prop-2-enoyl}phenyl 4-{[(dimethylamino)oxy]methyl}-3-hydroxybenzene-1-sulfonate |
| Formula | C21H26N2O6S |
| Mass | 434.506 |
| Exact Mass | 434.1511573 |
| Composition | C (58.05%), H (6.03%), N (6.45%), O (22.09%), S (7.38%) |
| Atom Count | 56 |
| PI | 7.58 |
| Smiles | CN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2cc(c(cc2)CON(C)C)O)cc1 |
| InChI | 1S/C21H26N2O6S/c1-15(13-22(2)3)21(25)16-6-9-18(10-7-16)29-30(26,27)19-11-8-17(20(24)12-19)14-28-23(4
)5/h6-12,24H,1,13-14H2,2-5H3 |
| InChIKey | CENQGFVZUQEMPT-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL1194428 |
