General Property |
Molceule ID (DB) | EGIN0001660 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | 3-{[4-(2,2-dicyanoeth-1-en-1-yl)phenyl]carbamoyl}propanoic acid |
Formula | C14H11N3O3 |
Mass | 269.2554 |
Exact Mass | 269.0800412 |
Composition | C (62.45%), H (4.12%), N (15.61%), O (17.83%) |
Atom Count | 31 |
PI | No isoelectric point. |
Smiles | c1(ccc(cc1)NC(=O)CCC(=O)O)C=C(C#N)C#N |
InChI | 1S/C14H11N3O3/c15-8-11(9-16)7-10-1-3-12(4-2-10)17-13(18)5-6-14(19)20/h1-4,7H,5-6H2,(H,17,18)(H,19,20
) |
InChIKey | VNUISCLXMOOGIR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001660.png) | Structure Backbone | ![](./frame/f_EGIN0001660.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 | 2552117 |
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 |
5328782
|
Drug Bank Link | - |
ChemSpider Link | 4485944 |
ChEMBL Link | CHEMBL307248 |