| General Property |
| Molceule ID (DB) | EGIN0004513 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3u |
| IUPAC Name | N-{3-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C25H24ClF3N6O2 |
| Mass | 532.945 |
| Exact Mass | 532.1601364 |
| Composition | C (56.34%), H (4.54%), Cl (6.65%), F (10.69%), N (15.77%), O (6%) |
| Atom Count | 61 |
| PI | 10.33 |
| Smiles | c1c(ccc(c1C(F)(F)F)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C25H24ClF3N6O2/c1-3-22(36)31-16-5-4-6-18(13-16)37-23-20(26)15-30-24(33-23)32-21-8-7-17(14-19(21)2
5(27,28)29)35-11-9-34(2)10-12-35/h3-8,13-15H,1,9-12H2,2H3,(H,31,36)(H,30,32,33) |
| InChIKey | BJAFEGHEWRKAGM-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 |
49820424
|
| Drug Bank Link | - |
| ChemSpider Link | 26380384 |
| ChEMBL Link | CHEMBL1643987 |
