| General Property |
| Molceule ID (DB) | EGIN0003533 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 2 (AG537) |
| IUPAC Name | (2E)-2-cyano-N-{3-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]propyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C23H20N4O6 |
| Mass | 448.4281 |
| Exact Mass | 448.1382844 |
| Composition | C (61.6%), H (4.5%), N (12.49%), O (21.41%) |
| Atom Count | 53 |
| PI | 3.87 |
| Smiles | c1(c(ccc(c1)/C=C(/C(=O)NCCCNC(=O)/C(=C/c1ccc(c(c1)O)O)/C#N)C#N)O)O |
| InChI | 1S/C23H20N4O6/c24-12-16(8-14-2-4-18(28)20(30)10-14)22(32)26-6-1-7-27-23(33)17(13-25)9-15-3-5-19(29)2
1(31)11-15/h2-5,8-11,28-31H,1,6-7H2,(H,26,32)(H,27,33)/b16-8+,17-9+ |
| InChIKey | ZHOKHSGWBNPFQU-GONBZBRSSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4486406 |
| ChEMBL Link | CHEMBL67535 |
