General Property |
Molceule ID (DB) | EGIN0001667 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 4-(2,2-dicyanoeth-1-en-1-yl)benzoic acid |
Formula | C11H6N2O2 |
Mass | 198.1775 |
Exact Mass | 198.0429274 |
Composition | C (66.67%), H (3.05%), N (14.14%), O (16.15%) |
Atom Count | 21 |
PI | No isoelectric point. |
Smiles | c1(ccc(cc1)C(=O)O)C=C(C#N)C#N |
InChI | 1S/C11H6N2O2/c12-6-9(7-13)5-8-1-3-10(4-2-8)11(14)15/h1-5H,(H,14,15) |
InChIKey | KWXWJXVSQZFADE-UHFFFAOYSA-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 |
5328784
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Drug Bank Link | - |
ChemSpider Link | 4485946 |
ChEMBL Link | CHEMBL78174 |