| General Property |
| Molceule ID (DB) | EGIN0003195 |
| Inhibitor Class | Thiazole |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | 4-[4-(4-fluorophenyl)-5-(2-{[(1S)-1-phenylethyl]amino}pyridin-4-yl)-1,3-thiazol-2-yl]-1-methylpiperidin-4-ol |
| Formula | C28H29FN4OS |
| Mass | 488.619 |
| Exact Mass | 488.2046105 |
| Composition | C (68.83%), H (5.98%), F (3.89%), N (11.47%), O (3.27%), S (6.56%) |
| Atom Count | 64 |
| PI | 10.47 |
| Smiles | n1c(c(sc1C1(CCN(CC1)C)O)c1cc(N[C@H](c2ccccc2)C)ncc1)c1ccc(cc1)F |
| InChI | 1S/C28H29FN4OS/c1-19(20-6-4-3-5-7-20)31-24-18-22(12-15-30-24)26-25(21-8-10-23(29)11-9-21)32-27(35-26
)28(34)13-16-33(2)17-14-28/h3-12,15,18-19,34H,13-14,16-17H2,1-2H3,(H,30,31)/t19-/m0/s1 |
| InChIKey | RITXYPWPIMALLO-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 | 15177482 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Abl | CDK1 | c-Kit | c-Met | IGF1R | TNF alpha/hPBMC | Kdr | p38 alpha | hJNK1 | c-Raf | hJNK2 | c-Src | ALL |
| Pub Chem Link |
44345639
|
| Drug Bank Link | - |
| ChemSpider Link | 23201842 |
| ChEMBL Link | CHEMBL118419 |
