| General Property |
| Molceule ID (DB) | EGIN0002824 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 58 compound |
| IUPAC Name | ethyl (2R)-2-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-phenylpropanoate |
| Formula | C21H20N2O5 |
| Mass | 380.3939 |
| Exact Mass | 380.1372218 |
| Composition | C (66.31%), H (5.3%), N (7.36%), O (21.03%) |
| Atom Count | 48 |
| PI | 2.73 |
| Smiles | C(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)N[C@H](Cc1ccccc1)C(=O)OCC |
| InChI | 1S/C21H20N2O5/c1-2-28-21(27)17(11-14-6-4-3-5-7-14)23-20(26)16(13-22)10-15-8-9-18(24)19(25)12-15/h3-1
0,12,17,24-25H,2,11H2,1H3,(H,23,26)/b16-10+/t17-/m1/s1 |
| InChIKey | IZNDRNBAQQZJSB-BRVCPTFNSA-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 | 1676428 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485938 |
| ChEMBL Link | CHEMBL56319 |
