General Property |
Molceule ID (DB) | EGIN0002826 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 62 compound |
IUPAC Name | (2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide |
Formula | C20H20N2O5 |
Mass | 368.3832 |
Exact Mass | 368.1372218 |
Composition | C (65.21%), H (5.47%), N (7.6%), O (21.72%) |
Atom Count | 47 |
PI | 3.93 |
Smiles | C(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)NCCc1ccc(c(c1)OC)OC |
InChI | 1S/C20H20N2O5/c1-26-18-6-4-13(11-19(18)27-2)7-8-22-20(25)15(12-21)9-14-3-5-16(23)17(24)10-14/h3-6,9-
11,23-24H,7-8H2,1-2H3,(H,22,25)/b15-9+ |
InChIKey | SPPRJVVDZRWCNP-OQLLNIDSSA-N |
2D Structure | | Structure Backbone | |
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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 | 1676428 |
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 |
5328777
|
Drug Bank Link | - |
ChemSpider Link | 4485939 |
ChEMBL Link | CHEMBL56455 |