| General Property |
| Molceule ID (DB) | EGIN0001644 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | (2E)-2-cyano-3-{4-hydroxy-3-methoxy-5-[(pyridin-2-ylsulfanyl)methyl]phenyl}prop-2-enamide |
| Formula | C17H15N3O3S |
| Mass | 341.384 |
| Exact Mass | 341.0834121 |
| Composition | C (59.81%), H (4.43%), N (12.31%), O (14.06%), S (9.39%) |
| Atom Count | 39 |
| PI | 5.97 |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1ncccc1)/C=C(C#N)/C(=O)N |
| InChI | 1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1
H3,(H2,19,22)/b12-6+ |
| InChIKey | ALDCNHLMTCRENB-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 |
| 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 |
44345316
|
| Drug Bank Link | - |
| ChemSpider Link | 23201521 |
| ChEMBL Link | CHEMBL119156 |
