| General Property |
| Molceule ID (DB) | EGIN0002732 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | (2S)-1-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]-3-[(3,4-dimethylphenyl)sulfanyl]propan-1-one |
| Formula | C27H31NO2S |
| Mass | 433.606 |
| Exact Mass | 433.2075499 |
| Composition | C (74.79%), H (7.21%), N (3.23%), O (7.38%), S (7.39%) |
| Atom Count | 62 |
| PI | 11.84 |
| Smiles | CN(C)C[C@H](CSc1cc(C)c(C)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 |
| InChI | 1S/C27H31NO2S/c1-20-10-15-26(16-21(20)2)31-19-24(17-28(3)4)27(29)23-11-13-25(14-12-23)30-18-22-8-6-5
-7-9-22/h5-16,24H,17-19H2,1-4H3/t24-/m1/s1 |
| InChIKey | JAWVVQKVYZUJTE-XMMPIXPASA-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 | c-Src | PKC | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 8224082 |
| ChEMBL Link | CHEMBL1189319 |
