| General Property |
| Molceule ID (DB) | EGIN0000784 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8i compound |
| IUPAC Name | N-[(3-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}phenyl)methyl]acetamide |
| Formula | C28H22ClFN4O2 |
| Mass | 500.951 |
| Exact Mass | 500.1415319 |
| Composition | C (67.13%), H (4.43%), Cl (7.08%), F (3.79%), N (11.18%), O (6.39%) |
| Atom Count | 58 |
| PI | 8.53 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(c1)CNC(=O)C |
| InChI | 1S/C28H22ClFN4O2/c1-19(35)32-15-21-5-2-4-20(12-21)8-9-23-16-31-18-33-28(23)34-25-10-11-27(26(29)14-2
5)36-17-22-6-3-7-24(30)13-22/h2-7,10-14,16,18H,15,17H2,1H3,(H,32,35)(H,31,33,34) |
| InChIKey | IWKYADYEFPLAEG-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 |
11605761
|
| Drug Bank Link | - |
| ChemSpider Link | 9780517 |
| ChEMBL Link | CHEMBL207247 |
