| General Property |
| Molceule ID (DB) | EGIN0002717 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | 1-[4-(benzyloxy)-3-hydroxyphenyl]-2-[(dimethylamino)methyl]prop-2-en-1-one |
| Formula | C19H21NO3 |
| Mass | 311.3749 |
| Exact Mass | 311.1521435 |
| Composition | C (73.29%), H (6.8%), N (4.5%), O (15.41%) |
| Atom Count | 44 |
| PI | 8.47 |
| Smiles | CN(C)CC(=C)C(=O)c1cc(O)c(OCc2ccccc2)cc1 |
| InChI | 1S/C19H21NO3/c1-14(12-20(2)3)19(22)16-9-10-18(17(21)11-16)23-13-15-7-5-4-6-8-15/h4-11,21H,1,12-13H2,
2-3H3 |
| InChIKey | BOXXZXNYZHHZNA-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 | v-ab1 | c-Src | ALL |
| Pub Chem Link |
10064040
|
| Drug Bank Link | - |
| ChemSpider Link | 8239580 |
| ChEMBL Link | CHEMBL1191747 |
