| General Property |
| Molceule ID (DB) | EGIN0000793 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8r compound |
| IUPAC Name | (4-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}-1,3-thiazol-2-yl)methanol |
| Formula | C23H16ClFN4O2S |
| Mass | 466.915 |
| Exact Mass | 466.0666524 |
| Composition | C (59.16%), H (3.45%), Cl (7.59%), F (4.07%), N (12%), O (6.85%), S (6.87%) |
| Atom Count | 48 |
| PI | 8.1 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1csc(n1)CO |
| InChI | 1S/C23H16ClFN4O2S/c24-20-9-18(6-7-21(20)31-12-15-2-1-3-17(25)8-15)29-23-16(10-26-14-27-23)4-5-19-13-
32-22(11-30)28-19/h1-3,6-10,13-14,30H,11-12H2,(H,26,27,29) |
| InChIKey | YKQCCMOWWKAYOX-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 | 16483772 |
| 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 |
11583563
|
| Drug Bank Link | - |
| ChemSpider Link | 9758328 |
| ChEMBL Link | CHEMBL205047 |
