| General Property |
| Molceule ID (DB) | EGIN0000779 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8d compound |
| IUPAC Name | 5-[2-(4-aminophenyl)ethynyl]-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}pyrimidin-4-amine |
| Formula | C25H18ClFN4O |
| Mass | 444.888 |
| Exact Mass | 444.1153171 |
| Composition | C (67.49%), H (4.08%), Cl (7.97%), F (4.27%), N (12.59%), O (3.6%) |
| Atom Count | 50 |
| PI | 9.58 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1ccc(cc1)N |
| InChI | 1S/C25H18ClFN4O/c26-23-13-22(10-11-24(23)32-15-18-2-1-3-20(27)12-18)31-25-19(14-29-16-30-25)7-4-17-5
-8-21(28)9-6-17/h1-3,5-6,8-14,16H,15,28H2,(H,29,30,31) |
| InChIKey | PTARQPWAPBTGAG-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 |
11669455
|
| Drug Bank Link | - |
| ChemSpider Link | 9844186 |
| ChEMBL Link | CHEMBL205966 |
