General Property |
Molceule ID (DB) | EGIN0002809 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 25 compound |
IUPAC Name | (2E)-3-(3,4-dihydroxyphenyl)-2-[(E)-(4-fluorophenyl)carbonyl]prop-2-enenitrile |
Formula | C16H10FNO3 |
Mass | 283.2539 |
Exact Mass | 283.0644714 |
Composition | C (67.84%), H (3.56%), F (6.71%), N (4.94%), O (16.95%) |
Atom Count | 31 |
PI | No isoelectric point. |
Smiles | c1c(c(ccc1/C=C(/C(=O)c1ccc(cc1)F)C#N)O)O |
InChI | 1S/C16H10FNO3/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-14(19)15(20)8-10/h1-8,19-20H/b12-7+ |
InChIKey | ALUHXQXQTNRXQL-KPKJPENVSA-N |
2D Structure | ![](./image/EGIN0002809.png) | Structure Backbone | ![](./frame/f_EGIN0002809.png) |
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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 |
5328761
|
Drug Bank Link | - |
ChemSpider Link | 4485923 |
ChEMBL Link | CHEMBL55204 |