| General Property |
| Molceule ID (DB) | EGIN0001636 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | (2E)-2-cyano-3-(3-{[(2-acetamidophenyl)sulfanyl]methyl}-4-hydroxy-5-methoxyphenyl)prop-2-enamide |
| Formula | C20H19N3O4S |
| Mass | 397.448 |
| Exact Mass | 397.1096268 |
| Composition | C (60.44%), H (4.82%), N (10.57%), O (16.1%), S (8.07%) |
| Atom Count | 47 |
| PI | 3.84 |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1ccccc1NC(=O)C)/C=C(C#N)/C(=O)N |
| InChI | 1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-
9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+ |
| InChIKey | LGSDRHSXDZDRLH-VGOFMYFVSA-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 |
| 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 |
44345439
|
| Drug Bank Link | - |
| ChemSpider Link | 23201646 |
| ChEMBL Link | CHEMBL115895 |
