| General Property |
| Molceule ID (DB) | EGIN0003543 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 12 (AG852) |
| IUPAC Name | (2E)-2-cyano-N-[(1S,2R)-2-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C26H24N4O6 |
| Mass | 488.492 |
| Exact Mass | 488.1695845 |
| Composition | C (63.93%), H (4.95%), N (11.47%), O (19.65%) |
| Atom Count | 60 |
| PI | 4.04 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)N[C@@H]1[C@H](NC(=O)/C(=C/c2cc(c(cc2)O)O)/C#N)CCCC1)C#N |
| InChI | 1S/C26H24N4O6/c27-13-17(9-15-5-7-21(31)23(33)11-15)25(35)29-19-3-1-2-4-20(19)30-26(36)18(14-28)10-16
-6-8-22(32)24(34)12-16/h5-12,19-20,31-34H,1-4H2,(H,29,35)(H,30,36)/b17-9+,18-10+/t19-,20+ |
| InChIKey | LLQAFRKQJAOAMO-AMCPEKKUSA-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 | 4486416 23263386 23219431 |
| ChEMBL Link | CHEMBL144778 |
