General Property |
Molceule ID (DB) | EGIN0001241 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 29 compound |
IUPAC Name | (2E)-2-[(E)-benzoyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile |
Formula | C16H11NO3 |
Mass | 265.2634 |
Exact Mass | 265.0738932 |
Composition | C (72.45%), H (4.18%), N (5.28%), O (18.09%) |
Atom Count | 31 |
PI | No isoelectric point. |
Smiles | c1(ccc(c(c1)O)O)/C=C(/C(=O)c1ccccc1)C#N |
InChI | 1S/C16H11NO3/c17-10-13(16(20)12-4-2-1-3-5-12)8-11-6-7-14(18)15(19)9-11/h1-9,18-19H/b13-8+ |
InChIKey | QBKFKKGORMOFFU-MDWZMJQESA-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 | 1676428 | 8098709 | |
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 |
5328763
|
Drug Bank Link | - |
ChemSpider Link | 4485925 |
ChEMBL Link | CHEMBL56132 |