| General Property |
| Molceule ID (DB) | EGIN0001651 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | 2-({4-hydroxy-3-methoxy-5-[(phenylsulfanyl)methyl]phenyl}methylidene)propanedinitrile |
| Formula | C18H14N2O2S |
| Mass | 322.381 |
| Exact Mass | 322.0775984 |
| Composition | C (67.06%), H (4.38%), N (8.69%), O (9.93%), S (9.95%) |
| Atom Count | 37 |
| PI | 1.44 |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1ccccc1)C=C(C#N)C#N |
| InChI | 1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3 |
| InChIKey | NEILEDNOTIXAIO-UHFFFAOYSA-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 |
44345469
|
| Drug Bank Link | - |
| ChemSpider Link | 23201678 |
| ChEMBL Link | CHEMBL122522 |
