General Property |
Molceule ID (DB) | EGIN0003873 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 3e compound |
IUPAC Name | (2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-2-yl)prop-2-enenitrile |
Formula | C15H12N2O2 |
Mass | 252.268 |
Exact Mass | 252.0898776 |
Composition | C (71.42%), H (4.79%), N (11.1%), O (12.68%) |
Atom Count | 31 |
PI | 6.01 |
Smiles | C(=Cc1cc(c(cc1)O)OC)(C#N)/c1ncccc1 |
InChI | 1S/C15H12N2O2/c1-19-15-9-11(5-6-14(15)18)8-12(10-16)13-4-2-3-7-17-13/h2-9,18H,1H3/b12-8+ |
InChIKey | VNGWLLJZPDZEQS-XYOKQWHBSA-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 | 10780912 |
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 | 10980103 |
ChEMBL Link | CHEMBL39295 |