| General Property |
| Molceule ID (DB) | EGIN0002730 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | (2S)-3-[(2-aminoethyl)sulfanyl]-1-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]propan-1-one |
| Formula | C21H28N2O2S |
| Mass | 372.524 |
| Exact Mass | 372.1871488 |
| Composition | C (67.71%), H (7.58%), N (7.52%), O (8.59%), S (8.61%) |
| Atom Count | 54 |
| PI | 12.52 |
| Smiles | CN(C)C[C@H](CSCCN)C(=O)c1ccc(OCc2ccccc2)cc1 |
| InChI | 1S/C21H28N2O2S/c1-23(2)14-19(16-26-13-12-22)21(24)18-8-10-20(11-9-18)25-15-17-6-4-3-5-7-17/h3-11,19H
,12-16,22H2,1-2H3/t19-/m1/s1 |
| InChIKey | KYKIJIXHKSKLSD-LJQANCHMSA-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 |
10694789
|
| Drug Bank Link | - |
| ChemSpider Link | 8197758 |
| ChEMBL Link | CHEMBL1192172 |
