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 | ![](./image/EGIN0003550.png) | Structure Backbone | ![](./frame/f_EGIN0003550.png) |
|
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 |