General Property |
Molceule ID (DB) | EGIN0002832 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 71 compound |
IUPAC Name | (2E)-3-(3,4-dihydroxyphenyl)-2-[(E)-(piperidin-1-yl)carbonyl]prop-2-enenitrile |
Formula | C15H16N2O3 |
Mass | 272.2991 |
Exact Mass | 272.1160924 |
Composition | C (66.16%), H (5.92%), N (10.29%), O (17.63%) |
Atom Count | 36 |
PI | 4.34 |
Smiles | C(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)N1CCCCC1 |
InChI | 1S/C15H16N2O3/c16-10-12(15(20)17-6-2-1-3-7-17)8-11-4-5-13(18)14(19)9-11/h4-5,8-9,18-19H,1-3,6-7H2/b1
2-8+ |
InChIKey | LNRHMUVQCQDANC-XYOKQWHBSA-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 |
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 |
5328835
|
Drug Bank Link | - |
ChemSpider Link | 4485997 |
ChEMBL Link | CHEMBL291753 |