General Property |
Molceule ID (DB) | EGIN0001666 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | (2Z)-3-[4-(2,2-dicyanoeth-1-en-1-yl)phenyl]prop-2-enoic acid |
Formula | C13H8N2O2 |
Mass | 224.2148 |
Exact Mass | 224.0585775 |
Composition | C (69.64%), H (3.6%), N (12.49%), O (14.27%) |
Atom Count | 25 |
PI | No isoelectric point. |
Smiles | c1(ccc(cc1)/C=CC(=O)O)C=C(C#N)C#N |
InChI | 1S/C13H8N2O2/c14-8-12(9-15)7-11-3-1-10(2-4-11)5-6-13(16)17/h1-7H,(H,16,17)/b6-5- |
InChIKey | FYUKHNUSVGJQFX-WAYWQWQTSA-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 | 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 |
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Drug Bank Link | - |
ChemSpider Link | 4485945 |
ChEMBL Link | CHEMBL77778 |