| General Property |
| Molceule ID (DB) | EGIN0000789 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8n compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[2-(pyrimidin-2-yl)ethynyl]pyrimidin-4-amine |
| Formula | C23H15ClFN5O |
| Mass | 431.85 |
| Exact Mass | 431.094916 |
| Composition | C (63.97%), H (3.5%), Cl (8.21%), F (4.4%), N (16.22%), O (3.7%) |
| Atom Count | 46 |
| PI | 8.96 |
| Smiles | c1c(cc(cc1)COc1c(cc(cc1)Nc1ncncc1C#Cc1ncccn1)Cl)F |
| InChI | 1S/C23H15ClFN5O/c24-20-12-19(6-7-21(20)31-14-16-3-1-4-18(25)11-16)30-23-17(13-26-15-29-23)5-8-22-27-
9-2-10-28-22/h1-4,6-7,9-13,15H,14H2,(H,26,29,30) |
| InChIKey | HPHUGTTXFHEACH-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 |
11561058
|
| Drug Bank Link | - |
| ChemSpider Link | 9735832 |
| ChEMBL Link | CHEMBL207869 |
