| General Property |
| Molceule ID (DB) | EGIN0004483 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 4f |
| IUPAC Name | N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]-5-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 | 10.36 |
| Smiles | c1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cc(cc(c1)NC(=O)C=C)F)OC)N1CCN(CC1)C |
| InChI | 1S/C25H26ClFN6O3/c1-4-23(34)29-17-11-16(27)12-19(13-17)36-24-20(26)15-28-25(31-24)30-21-6-5-18(14-22
(21)35-3)33-9-7-32(2)8-10-33/h4-6,11-15H,1,7-10H2,2-3H3,(H,29,34)(H,28,30,31) |
| InChIKey | MUOSQROTKVXTFE-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 |
49819972
|
| Drug Bank Link | - |
| ChemSpider Link | 26379907 |
| ChEMBL Link | CHEMBL1643993 |
