| General Property |
| Molceule ID (DB) | EGIN0001248 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | (2E)-2-cyano-3-{4-hydroxy-3-methoxy-5-[(phenylsulfanyl)methyl]phenyl}prop-2-enamide |
| Formula | C18H16N2O3S |
| Mass | 340.396 |
| Exact Mass | 340.0881631 |
| Composition | C (63.51%), H (4.74%), N (8.23%), O (14.1%), S (9.42%) |
| Atom Count | 40 |
| PI | 3.85 |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1ccccc1)/C=C(/C(=O)N)C#N |
| InChI | 1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1
H3,(H2,20,22)/b13-7+ |
| InChIKey | FOGXCBUSKWTDKV-NTUHNPAUSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 7902440 | 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 |
6447926
|
| Drug Bank Link | - |
| ChemSpider Link | 4951159 |
| ChEMBL Link | CHEMBL116595 |
