| General Property |
| Molceule ID (DB) | EGIN0001630 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | (2E)-3-{3-[(benzylsulfanyl)methyl]-4,5-dihydroxyphenyl}-2-cyanoprop-2-enamide |
| Formula | C18H16N2O3S |
| Mass | 340.396 |
| Exact Mass | 340.0881631 |
| Composition | C (63.51%), H (4.74%), N (8.23%), O (14.1%), S (9.42%) |
| Atom Count | 40 |
| PI | 3.65 |
| Smiles | c1(cc(c(c(c1)O)O)CSCc1ccccc1)/C=C(C#N)/C(=O)N |
| InChI | 1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-
11H2,(H2,20,23)/b14-6+ |
| InChIKey | JPNQHDIBDBJKGZ-MKMNVTDBSA-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 |
44345433
|
| Drug Bank Link | - |
| ChemSpider Link | 23201642 |
| ChEMBL Link | CHEMBL432428 |
