| General Property |
| Molceule ID (DB) | EGIN0001648 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | (2E)-3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide |
| Formula | C19H16N4O3S |
| Mass | 380.42 |
| Exact Mass | 380.0943111 |
| Composition | C (59.99%), H (4.24%), N (14.73%), O (12.62%), S (8.43%) |
| Atom Count | 43 |
| PI | 6.38 |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1nc2c([nH]1)cccc2)/C=C(C#N)/C(=O)N |
| InChI | 1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-
8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+ |
| InChIKey | KDPPKUHLJVHJSQ-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 |
44345644
|
| Drug Bank Link | - |
| ChemSpider Link | 23201847 |
| ChEMBL Link | CHEMBL331026 |
