| General Property |
| Molceule ID (DB) | EGIN0000788 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8m compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[2-(pyridin-2-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 | 9.22 |
| Smiles | c1c(cc(cc1)COc1c(cc(cc1)Nc1ncncc1C#Cc1ccccn1)Cl)F |
| InChI | 1S/C24H16ClFN4O/c25-22-13-21(9-10-23(22)31-15-17-4-3-5-19(26)12-17)30-24-18(14-27-16-29-24)7-8-20-6-
1-2-11-28-20/h1-6,9-14,16H,15H2,(H,27,29,30) |
| InChIKey | XCIKLSSUHGYTCI-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 |
11597180
|
| Drug Bank Link | - |
| ChemSpider Link | 9771940 |
| ChEMBL Link | CHEMBL205045 |
