| General Property |
| Molceule ID (DB) | EGIN0003545 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 14 (AG591) |
| IUPAC Name | (2E)-2-cyano-N-(2-{4-[(2E)-2-cyano-2-[(3,4-dihydroxyphenyl)methylidene]acetyl]piperazin-1-yl}ethyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C26H25N5O6 |
| Mass | 503.5066 |
| Exact Mass | 503.1804836 |
| Composition | C (62.02%), H (5%), N (13.91%), O (19.07%) |
| Atom Count | 62 |
| PI | 6.85 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)N1CCN(CC1)CCNC(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)C#N |
| InChI | 1S/C26H25N5O6/c27-15-19(11-17-1-3-21(32)23(34)13-17)25(36)29-5-6-30-7-9-31(10-8-30)26(37)20(16-28)12
-18-2-4-22(33)24(35)14-18/h1-4,11-14,32-35H,5-10H2,(H,29,36)/b19-11+,20-12+ |
| InChIKey | VUEAWOKXEQLRJW-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 | 4486418 341909 |
| ChEMBL Link | CHEMBL343887 |
