| General Property |
| Molceule ID (DB) | EGIN0000791 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8p compound |
| IUPAC Name | 5-[2-(2-aminopyrimidin-4-yl)ethynyl]-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}pyrimidin-4-amine |
| Formula | C23H16ClFN6O |
| Mass | 446.864 |
| Exact Mass | 446.1058151 |
| Composition | C (61.82%), H (3.61%), Cl (7.93%), F (4.25%), N (18.81%), O (3.58%) |
| Atom Count | 48 |
| PI | 9.33 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1ccnc(n1)N |
| InChI | 1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9
-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30) |
| InChIKey | WRXRFFUVXFNKGG-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 |
11640889
|
| Drug Bank Link | - |
| ChemSpider Link | 9815630 |
| ChEMBL Link | CHEMBL381604 |
