| General Property |
| Molceule ID (DB) | EGIN0003546 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 15 (AG549) |
| IUPAC Name | (2E)-2-[(E)-{4-[(2E)-2-cyano-2-[(3,4-dihydroxyphenyl)methylidene]acetyl]piperazin-1-yl}carbonyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile |
| Formula | C24H20N4O6 |
| Mass | 460.4388 |
| Exact Mass | 460.1382844 |
| Composition | C (62.6%), H (4.38%), N (12.17%), O (20.85%) |
| Atom Count | 54 |
| PI | 4.12 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)N1CCN(C(=O)/C(=C/c2cc(c(cc2)O)O)/C#N)CC1)C#N |
| InChI | 1S/C24H20N4O6/c25-13-17(9-15-1-3-19(29)21(31)11-15)23(33)27-5-7-28(8-6-27)24(34)18(14-26)10-16-2-4-2
0(30)22(32)12-16/h1-4,9-12,29-32H,5-8H2/b17-9+,18-10+ |
| InChIKey | LGNJLNMJHWXSGQ-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 | 4486419 24813470 |
| ChEMBL Link | CHEMBL358494 |
