| General Property |
| Molceule ID (DB) | EGIN0004484 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 4e |
| IUPAC Name | N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]-2-fluorophenyl}prop-2-enamide |
| Formula | C25H26ClFN6O3 |
| Mass | 512.964 |
| Exact Mass | 512.1738946 |
| Composition | C (58.54%), H (5.11%), Cl (6.91%), F (3.7%), N (16.38%), O (9.36%) |
| Atom Count | 62 |
| PI | 9.9 |
| Smiles | c1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1F)NC(=O)C=C)OC)N1CCN(CC1)C |
| InChI | 1S/C25H26ClFN6O3/c1-4-22(34)29-19-6-5-7-20(23(19)27)36-24-17(26)15-28-25(31-24)30-18-9-8-16(14-21(18
)35-3)33-12-10-32(2)11-13-33/h4-9,14-15H,1,10-13H2,2-3H3,(H,29,34)(H,28,30,31) |
| InChIKey | WWWPWNPDHPUEFV-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 | 21208802 |
| 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 |
53317902
|
| Drug Bank Link | - |
| ChemSpider Link | 26381483 |
| ChEMBL Link | CHEMBL1643992 |
