| General Property |
| Molceule ID (DB) | EGIN0003179 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | 4-[4-(4-fluorophenyl)-2-{4-[(S)-methanesulfinyl]phenyl}-1H-imidazol-5-yl]pyridine |
| Formula | C21H16FN3OS |
| Mass | 377.435 |
| Exact Mass | 377.099811 |
| Composition | C (66.83%), H (4.27%), F (5.03%), N (11.13%), O (4.24%), S (8.5%) |
| Atom Count | 43 |
| PI | 8.55 |
| Smiles | n1c(c([nH]c1c1ccc(cc1)[S@@](=O)C)c1ccncc1)c1ccc(cc1)F |
| InChI | 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/
h2-13H,1H3,(H,24,25)/t27-/m0/s1 |
| InChIKey | CDMGBJANTYXAIV-MHZLTWQESA-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 | 15454232 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | p38 alpha | |
| Pub Chem Link |
9543416
|
| Drug Bank Link | - |
| ChemSpider Link | 153453 |
| ChEMBL Link | CHEMBL10 |
