| General Property |
| Molceule ID (DB) | EGIN0003542 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 11 (AG547) |
| IUPAC Name | (2E)-2-cyano-N-{4-[(2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamido]butyl}-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide |
| Formula | C26H24N6O10 |
| Mass | 580.503 |
| Exact Mass | 580.155391 |
| Composition | C (53.79%), H (4.17%), N (14.48%), O (27.56%) |
| Atom Count | 66 |
| PI | 2.89 |
| Smiles | c1([N+](=O)[O-])c(c(cc(/C=C(/C(=O)NCCCCNC(=O)/C(=C/c2cc([N+](=O)[O-])c(c(c2)OC)O)/C#N)C#N)c1)OC)O |
| InChI | 1S/C26H24N6O10/c1-41-21-11-15(9-19(23(21)33)31(37)38)7-17(13-27)25(35)29-5-3-4-6-30-26(36)18(14-28)8
-16-10-20(32(39)40)24(34)22(12-16)42-2/h7-12,33-34H,3-6H2,1-2H3,(H,29,35)(H,30,36)/b17-7+,18-8+ |
| InChIKey | KELGROZXKWYKRA-ZEELXFFVSA-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 | 4486415 |
| ChEMBL Link | CHEMBL145266 |
