| General Property |
| Molceule ID (DB) | EGIN0003535 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 4 (AG550) |
| IUPAC Name | (2E)-2-cyano-N-{4-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]butyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C24H22N4O6 |
| Mass | 462.4547 |
| Exact Mass | 462.1539345 |
| Composition | C (62.33%), H (4.79%), N (12.12%), O (20.76%) |
| Atom Count | 56 |
| PI | 3.89 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)NCCCCNC(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)C#N |
| InChI | 1S/C24H22N4O6/c25-13-17(9-15-3-5-19(29)21(31)11-15)23(33)27-7-1-2-8-28-24(34)18(14-26)10-16-4-6-20(3
0)22(32)12-16/h3-6,9-12,29-32H,1-2,7-8H2,(H,27,33)(H,28,34)/b17-9+,18-10+ |
| InChIKey | XHDRIPWTMPMRTA-BEQMOXJMSA-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 | 4486408 341905 |
| ChEMBL Link | CHEMBL144589 |
