| General Property |
| Molceule ID (DB) | EGIN0001253 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | (2E)-3-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide |
| Formula | C19H15N3O4S |
| Mass | 381.405 |
| Exact Mass | 381.0783267 |
| Composition | C (59.83%), H (3.96%), N (11.02%), O (16.78%), S (8.41%) |
| Atom Count | 42 |
| PI | 3.98 |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1oc2c(n1)cccc2)/C=C(/C(=O)N)C#N |
| InChI | 1S/C19H15N3O4S/c1-25-16-8-11(6-12(9-20)18(21)24)7-13(17(16)23)10-27-19-22-14-4-2-3-5-15(14)26-19/h2-
8,23H,10H2,1H3,(H2,21,24)/b12-6+ |
| InChIKey | DAXNLYJBKOOJIV-WUXMJOGZSA-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 |
44345647
|
| Drug Bank Link | - |
| ChemSpider Link | 23201850 |
| ChEMBL Link | CHEMBL118205 |
