| General Property |
| Molceule ID (DB) | EGIN0003550 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 19 (AG593) |
| IUPAC Name | (2E)-2-cyano-N-({4-[(2E)-2-cyano-2-[(3,4-dihydroxyphenyl)methylidene]acetyl]piperazin-1-yl}methyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C25H23N5O6 |
| Mass | 489.48 |
| Exact Mass | 489.1648335 |
| Composition | C (61.34%), H (4.74%), N (14.31%), O (19.61%) |
| Atom Count | 59 |
| PI | 5.41 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)N1CCN(CNC(=O)/C(=C/c2cc(c(cc2)O)O)/C#N)CC1)C#N |
| InChI | 1S/C25H23N5O6/c26-13-18(9-16-1-3-20(31)22(33)11-16)24(35)28-15-29-5-7-30(8-6-29)25(36)19(14-27)10-17
-2-4-21(32)23(34)12-17/h1-4,9-12,31-34H,5-8,15H2,(H,28,35)/b18-9+,19-10+ |
| InChIKey | MWAPBQYCPZKRIB-VNIJRHKQSA-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 | 4579452 341910 |
| ChEMBL Link | CHEMBL145209 |
