| General Property |
| Molceule ID (DB) | EGIN0000787 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8l compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[2-(pyridin-3-yl)ethynyl]pyrimidin-4-amine |
| Formula | C24H16ClFN4O |
| Mass | 430.861 |
| Exact Mass | 430.0996671 |
| Composition | C (66.9%), H (3.74%), Cl (8.23%), F (4.41%), N (13%), O (3.71%) |
| Atom Count | 47 |
| PI | 9.27 |
| Smiles | c1c(cc(cc1)COc1c(cc(cc1)Nc1ncncc1C#Cc1cccnc1)Cl)F |
| InChI | 1S/C24H16ClFN4O/c25-22-12-21(8-9-23(22)31-15-18-3-1-5-20(26)11-18)30-24-19(14-28-16-29-24)7-6-17-4-2
-10-27-13-17/h1-5,8-14,16H,15H2,(H,28,29,30) |
| InChIKey | DRTZXIIFBAIOBW-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 |
11502887
|
| Drug Bank Link | - |
| ChemSpider Link | 9677689 |
| ChEMBL Link | CHEMBL438440 |
