| General Property |
| Molceule ID (DB) | EGIN0004472 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 5b |
| IUPAC Name | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C25H25F3N6O2 |
| Mass | 498.5002 |
| Exact Mass | 498.1991087 |
| Composition | C (60.23%), H (5.05%), F (11.43%), N (16.86%), O (6.42%) |
| Atom Count | 61 |
| PI | 10.85 |
| Smiles | c1c(ccc(c1)Nc1nc(c(cn1)C(F)(F)F)Oc1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C25H25F3N6O2/c1-3-22(35)30-18-5-4-6-20(15-18)36-23-21(25(26,27)28)16-29-24(32-23)31-17-7-9-19(10-
8-17)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,30,35)(H,29,31,32) |
| InChIKey | SGTLSXKBWGKVNM-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 |
53323175
|
| Drug Bank Link | - |
| ChemSpider Link | 26377138 |
| ChEMBL Link | CHEMBL1643995 |
