| General Property |
| Molceule ID (DB) | EGIN0000790 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8o compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[2-(1H-pyrazol-3-yl)ethynyl]pyrimidin-4-amine |
| Formula | C22H15ClFN5O |
| Mass | 419.839 |
| Exact Mass | 419.094916 |
| Composition | C (62.94%), H (3.6%), Cl (8.44%), F (4.53%), N (16.68%), O (3.81%) |
| Atom Count | 45 |
| PI | 8.57 |
| Smiles | c1c(cc(cc1)COc1c(cc(cc1)Nc1ncncc1C#Cc1n[nH]cc1)Cl)F |
| InChI | 1S/C22H15ClFN5O/c23-20-11-19(6-7-21(20)30-13-15-2-1-3-17(24)10-15)28-22-16(12-25-14-26-22)4-5-18-8-9
-27-29-18/h1-3,6-12,14H,13H2,(H,27,29)(H,25,26,28) |
| InChIKey | IJCQFRPHONNGRV-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23269689 |
| ChEMBL Link | CHEMBL205284 |
