| General Property |
| Molceule ID (DB) | EGIN0003221 |
| Inhibitor Class | Pyrimidinyl-imidazole |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | (1r,4r)-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexan-1-ol |
| Formula | C20H21FN4O2 |
| Mass | 368.4047 |
| Exact Mass | 368.1648541 |
| Composition | C (65.2%), H (5.75%), F (5.16%), N (15.21%), O (8.69%) |
| Atom Count | 48 |
| PI | 9.99 |
| Smiles | c1(n(cnc1c1ccc(cc1)F)[C@H]1CC[C@@H](CC1)O)c1nc(ncc1)OC |
| InChI | 1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/
h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16- |
| InChIKey | ZQUSFAUAYSEREK-WKILWMFISA-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 | 11597418 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | cdc2 | c-Raf | EGFR | ERK2 | JNK1 | JNK2b2 | P38a | p56 | PKC alpha | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 21475081 |
| ChEMBL Link | CHEMBL97162 |
