| General Property |
| Molceule ID (DB) | EGIN0003194 |
| Inhibitor Class | Oxazole |
| Molecule Name in Refrence Article | 32 compound |
| IUPAC Name | 4-{5-[2-(cyclohexylamino)pyridin-4-yl]-4-(4-fluorophenyl)-1,3-oxazol-2-yl}piperidin-4-ol |
| Formula | C25H29FN4O2 |
| Mass | 436.5218 |
| Exact Mass | 436.2274544 |
| Composition | C (68.79%), H (6.7%), F (4.35%), N (12.83%), O (7.33%) |
| Atom Count | 61 |
| PI | 10.85 |
| Smiles | n1c(c(oc1C1(CCNCC1)O)c1cc(ncc1)NC1CCCCC1)c1ccc(cc1)F |
| InChI | 1S/C25H29FN4O2/c26-19-8-6-17(7-9-19)22-23(32-24(30-22)25(31)11-14-27-15-12-25)18-10-13-28-21(16-18)2
9-20-4-2-1-3-5-20/h6-10,13,16,20,27,31H,1-5,11-12,14-15H2,(H,28,29) |
| InChIKey | SAMLUEXYGUANPP-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-Src | IGF1R | Kdr | p38 alpha | hJNK1 | TNF alpha/hPBMC | hJNK2 | c-Raf | ALL |
| Pub Chem Link |
44346053
|
| Drug Bank Link | - |
| ChemSpider Link | 23202288 |
| ChEMBL Link | CHEMBL121405 |
