| General Property |
| Molceule ID (DB) | EGIN0003196 |
| Inhibitor Class | Imidazole |
| Molecule Name in Refrence Article | 45 compound |
| IUPAC Name | 4-{1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}-1-methylpiperidin-4-ol |
| Formula | C25H29F3N6O |
| Mass | 486.5326 |
| Exact Mass | 486.2354942 |
| Composition | C (61.72%), H (6.01%), F (11.71%), N (17.27%), O (3.29%) |
| Atom Count | 64 |
| PI | 10.81 |
| Smiles | n1(c(nc(c1)C1(CCN(CC1)C)O)c1cc(C(F)(F)F)ccc1)c1nc(ncc1)NC1CCCC1 |
| InChI | 1S/C25H29F3N6O/c1-33-13-10-24(35,11-14-33)20-16-34(21-9-12-29-23(32-21)30-19-7-2-3-8-19)22(31-20)17-
5-4-6-18(15-17)25(26,27)28/h4-6,9,12,15-16,19,35H,2-3,7-8,10-11,13-14H2,1H3,(H,29,30,32) |
| InChIKey | NTPLIHVIDFWRGV-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 | 15177482 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Abl | CDK1 | c-Kit | c-Met | c-Raf | c-Src | hJNK1 | IGF1R | Kdr | TNF alpha/hPBMC | p38 alpha | hJNK2 | ALL |
| Pub Chem Link |
10005638
|
| Drug Bank Link | - |
| ChemSpider Link | 8181218 |
| ChEMBL Link | CHEMBL118258 |
