General Property |
Molceule ID (DB) | EGIN0001238 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | AG698 |
IUPAC Name | (2E)-2-cyano-3-phenyl-N-(2-phenylethyl)prop-2-enamide |
Formula | C18H16N2O |
Mass | 276.3324 |
Exact Mass | 276.1262631 |
Composition | C (78.24%), H (5.84%), N (10.14%), O (5.79%) |
Atom Count | 37 |
PI | 4.67 |
Smiles | c1(ccccc1)/C=C(/C(=O)NCCc1ccccc1)C#N |
InChI | 1S/C18H16N2O/c19-14-17(13-16-9-5-2-6-10-16)18(21)20-12-11-15-7-3-1-4-8-15/h1-10,13H,11-12H2,(H,20,21
)/b17-13+ |
InChIKey | ZSGHFKGYQYRZGD-GHRIWEEISA-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 | 8098709 |
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 |
19169580
|
Drug Bank Link | - |
ChemSpider Link | 12111319 |
ChEMBL Link | - |