| General Property |
| Molceule ID (DB) | EGIN0001251 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | (2E)-3-{3-[(benzylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide |
| Formula | C19H18N2O3S |
| Mass | 354.423 |
| Exact Mass | 354.1038131 |
| Composition | C (64.39%), H (5.12%), N (7.9%), O (13.54%), S (9.05%) |
| Atom Count | 43 |
| PI | 3.86 |
| Smiles | c1(cc(c(c(c1)OC)O)CSCc1ccccc1)/C=C(/C(=O)N)C#N |
| InChI | 1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-
12H2,1H3,(H2,21,23)/b15-7+ |
| InChIKey | KQOKTNOLEYYOGF-VIZOYTHASA-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 |
44345431
|
| Drug Bank Link | - |
| ChemSpider Link | 23201640 |
| ChEMBL Link | CHEMBL326318 |
