| General Property |
| Molceule ID (DB) | EGIN0003544 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 13 (AG588) |
| IUPAC Name | (2E)-2-cyano-N-{8-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]octyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C28H30N4O6 |
| Mass | 518.561 |
| Exact Mass | 518.2165347 |
| Composition | C (64.85%), H (5.83%), N (10.8%), O (18.51%) |
| Atom Count | 68 |
| PI | 4.09 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)NCCCCCCCCNC(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)C#N |
| InChI | 1S/C28H30N4O6/c29-17-21(13-19-7-9-23(33)25(35)15-19)27(37)31-11-5-3-1-2-4-6-12-32-28(38)22(18-30)14-
20-8-10-24(34)26(36)16-20/h7-10,13-16,33-36H,1-6,11-12H2,(H,31,37)(H,32,38)/b21-13+,22-14+ |
| InChIKey | LTAJUBMRIAMNSU-JFMUQQRKSA-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 | 4486417 341918 |
| ChEMBL Link | CHEMBL279138 |
