General Property |
Molceule ID (DB) | EGIN0002810 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 28 compound |
IUPAC Name | (2E)-3-(3,4-dihydroxyphenyl)-2-[(E)-(4-methylphenyl)carbonyl]prop-2-enenitrile |
Formula | C17H13NO3 |
Mass | 279.29 |
Exact Mass | 279.0895433 |
Composition | C (73.11%), H (4.69%), N (5.02%), O (17.19%) |
Atom Count | 34 |
PI | No isoelectric point. |
Smiles | c1c(c(ccc1/C=C(/C(=O)c1ccc(cc1)C)C#N)O)O |
InChI | 1S/C17H13NO3/c1-11-2-5-13(6-3-11)17(21)14(10-18)8-12-4-7-15(19)16(20)9-12/h2-9,19-20H,1H3/b14-8+ |
InChIKey | ZALNJTCOAIAQFA-RIYZIHGNSA-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 |
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 |
5328762
|
Drug Bank Link | - |
ChemSpider Link | 4485924 |
ChEMBL Link | CHEMBL54471 |