| General Property |
| Molceule ID (DB) | EGIN0000775 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-ethynylpyrimidin-4-amine |
| Formula | C19H13ClFN3O |
| Mass | 353.777 |
| Exact Mass | 353.073118 |
| Composition | C (64.5%), H (3.7%), Cl (10.02%), F (5.37%), N (11.88%), O (4.52%) |
| Atom Count | 38 |
| PI | 9.59 |
| Smiles | c1c(cc(cc1)COc1c(cc(cc1)Nc1ncncc1C#C)Cl)F |
| InChI | 1S/C19H13ClFN3O/c1-2-14-10-22-12-23-19(14)24-16-6-7-18(17(20)9-16)25-11-13-4-3-5-15(21)8-13/h1,3-10,
12H,11H2,(H,22,23,24) |
| InChIKey | KIUAMDPDOOLKMH-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 | 23269483 |
| ChEMBL Link | CHEMBL205870 |
