General Property |
Molceule ID (DB) | EGIN0001693 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 38 compound |
IUPAC Name | (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)but-2-enoic acid |
Formula | C12H11NO4 |
Mass | 233.22 |
Exact Mass | 233.0688078 |
Composition | C (61.8%), H (4.75%), N (6.01%), O (27.44%) |
Atom Count | 28 |
PI | No isoelectric point. |
Smiles | c1(ccc(c(c1)OC)O)/C(=C(C#N)/C(=O)O)/C |
InChI | 1S/C12H11NO4/c1-7(9(6-13)12(15)16)8-3-4-10(14)11(5-8)17-2/h3-5,14H,1-2H3,(H,15,16)/b9-7+ |
InChIKey | NFHQLTFHKJHSIE-VQHVLOKHSA-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 |
5328795
|
Drug Bank Link | - |
ChemSpider Link | 4485957 |
ChEMBL Link | CHEMBL77197 |