General Property |
Molceule ID (DB) | EGIN0002828 |
Inhibitor Class | Cinnamide |
Molecule Name in Refrence Article | 42 compound |
IUPAC Name | (2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide |
Formula | C17H14N2O3 |
Mass | 294.3047 |
Exact Mass | 294.1004423 |
Composition | C (69.38%), H (4.79%), N (9.52%), O (16.31%) |
Atom Count | 36 |
PI | 3.79 |
Smiles | C(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)NCc1ccccc1 |
InChI | 1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19
,22)/b14-8+ |
InChIKey | TUCIOBMMDDOEMM-RIYZIHGNSA-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 | 1676428 | 10464027 | 11462969 | |
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 |
5328779
|
Drug Bank Link | - |
ChemSpider Link | 4485941 |
ChEMBL Link | CHEMBL56543 |