| General Property |
| Molceule ID (DB) | EGIN0003538 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 7 (AG542) |
| IUPAC Name | (2E)-2-cyano-N-{6-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]hexyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C26H26N4O6 |
| Mass | 490.5078 |
| Exact Mass | 490.1852346 |
| Composition | C (63.66%), H (5.34%), N (11.42%), O (19.57%) |
| Atom Count | 62 |
| PI | 4.06 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)NCCCCCCNC(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)C#N |
| InChI | 1S/C26H26N4O6/c27-15-19(11-17-5-7-21(31)23(33)13-17)25(35)29-9-3-1-2-4-10-30-26(36)20(16-28)12-18-6-
8-22(32)24(34)14-18/h5-8,11-14,31-34H,1-4,9-10H2,(H,29,35)(H,30,36)/b19-11+,20-12+ |
| InChIKey | WDXFBHIKHUGEOU-AYKLPDECSA-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 | 8960549 |
| 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 | 4486411 341463 |
| ChEMBL Link | CHEMBL144760 |
