| General Property |
| Molceule ID (DB) | EGIN0002733 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | methyl 2-{[(2R)-3-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]-3-oxopropyl]sulfanyl}benzoate |
| Formula | C27H29NO4S |
| Mass | 463.588 |
| Exact Mass | 463.1817291 |
| Composition | C (69.95%), H (6.31%), N (3.02%), O (13.8%), S (6.92%) |
| Atom Count | 62 |
| PI | 11.83 |
| Smiles | COC(=O)c1c(SC[C@H](CN(C)C)C(=O)c2ccc(OCc3ccccc3)cc2)cccc1 |
| InChI | 1S/C27H29NO4S/c1-28(2)17-22(19-33-25-12-8-7-11-24(25)27(30)31-3)26(29)21-13-15-23(16-14-21)32-18-20-
9-5-4-6-10-20/h4-16,22H,17-19H2,1-3H3/t22-/m0/s1 |
| InChIKey | ZCKJJEAXMUMRLO-QFIPXVFZSA-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 | v-ab1 | PKC | ALL |
| Pub Chem Link |
23258653
|
| Drug Bank Link | - |
| ChemSpider Link | 8248641 |
| ChEMBL Link | CHEMBL1189439 |
