| General Property |
| Molceule ID (DB) | EGIN0003788 |
| Inhibitor Class | Imidazole |
| Molecule Name in Refrence Article | 48 compound |
| IUPAC Name | 4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine |
| Formula | C29H30F3N5 |
| Mass | 505.5772 |
| Exact Mass | 505.2453306 |
| Composition | C (68.89%), H (5.98%), F (11.27%), N (13.85%) |
| Atom Count | 67 |
| PI | No isoelectric point. |
| Smiles | c1nc(cc(c1)c1n(c(nc1c1cc(ccc1)C(F)(F)F)C1CCNCC1)C)N[C@H](c1ccccc1)C |
| InChI | 1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-
28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1 |
| InChIKey | ZLQKJFNLHHGAQF-IBGZPJMESA-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 |
9806182
|
| Drug Bank Link | - |
| ChemSpider Link | 7981942 |
| ChEMBL Link | CHEMBL303144 |
