| General Property |
| Molceule ID (DB) | EGIN0000780 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8e compound |
| IUPAC Name | N-(3-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}phenyl)acetamide |
| Formula | C27H20ClFN4O2 |
| Mass | 486.925 |
| Exact Mass | 486.1258818 |
| Composition | C (66.6%), H (4.14%), Cl (7.28%), F (3.9%), N (11.51%), O (6.57%) |
| Atom Count | 55 |
| PI | 8.35 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(c1)NC(=O)C |
| InChI | 1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)3
5-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33) |
| InChIKey | KHQLMFFPQINCMZ-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 |
11656050
|
| Drug Bank Link | - |
| ChemSpider Link | 9830788 |
| ChEMBL Link | CHEMBL205798 |
