| General Property |
| Molceule ID (DB) | EGIN0003787 |
| Inhibitor Class | Imidazole |
| Molecule Name in Refrence Article | 39 compound |
| IUPAC Name | 4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine |
| Formula | C28H29F3N6 |
| Mass | 506.5653 |
| Exact Mass | 506.2405796 |
| Composition | C (66.39%), H (5.77%), F (11.25%), N (16.59%) |
| Atom Count | 66 |
| PI | 12.05 |
| Smiles | C[C@H](Nc1nccc(n1)c1c(nc(C2CCNCC2)n1C)c1cc(ccc1)C(F)(F)F)c1ccccc1 |
| InChI | 1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-
26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1 |
| InChIKey | QICPQLFMWYQJGX-SFHVURJKSA-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 | 10377223 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Raf | JNK2R1 | JNK2R2 | Lck | MEK | p38 | PKA | PKC | ALL |
| Pub Chem Link |
447721
|
| Drug Bank Link | - |
| ChemSpider Link | 394736 |
| ChEMBL Link | CHEMBL305178 |
