| General Property |
| Molceule ID (DB) | EGIN0002731 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | (2S)-1-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]-3-(phenylsulfanyl)propan-1-one |
| Formula | C25H27NO2S |
| Mass | 405.552 |
| Exact Mass | 405.1762498 |
| Composition | C (74.04%), H (6.71%), N (3.45%), O (7.89%), S (7.91%) |
| Atom Count | 56 |
| PI | 11.84 |
| Smiles | CN(C)C[C@H](CSc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 |
| InChI | 1S/C25H27NO2S/c1-26(2)17-22(19-29-24-11-7-4-8-12-24)25(27)21-13-15-23(16-14-21)28-18-20-9-5-3-6-10-2
0/h3-16,22H,17-19H2,1-2H3/t22-/m1/s1 |
| InChIKey | BZAUNRIMGLUBQY-JOCHJYFZSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 8494582 |
| ChEMBL Link | CHEMBL1190159 |
