| General Property |
| Molceule ID (DB) | EGIN0002728 |
| Inhibitor Class | Acrylo-phenone |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 1-[4-(benzyloxy)-3-hydroxyphenyl]-4-(dimethylamino)butan-1-one; ethane |
| Formula | C21H29NO3 |
| Mass | 343.4599 |
| Exact Mass | 343.2147438 |
| Composition | C (73.44%), H (8.51%), N (4.08%), O (13.97%) |
| Atom Count | 54 |
| PI | 9.1 |
| Smiles | CN(C)CCCC(=O)c1cc(O)c(OCc2ccccc2)cc1.CC |
| InChI | 1S/C19H23NO3.C2H6/c1-20(2)12-6-9-17(21)16-10-11-19(18(22)13-16)23-14-15-7-4-3-5-8-15;1-2/h3-5,7-8,10
-11,13,22H,6,9,12,14H2,1-2H3;1-2H3 |
| InChIKey | WHYDYSCXVUWXDR-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 | PKC | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 6084 |
| ChEMBL Link | CHEMBL1194560 |
