| General Property |
| Molceule ID (DB) | EGIN0000188 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | 2-{[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Formula | C23H17ClFN3OS |
| Mass | 437.917 |
| Exact Mass | 437.0764888 |
| Composition | C (63.08%), H (3.91%), Cl (8.1%), F (4.34%), N (9.6%), O (3.65%), S (7.32%) |
| Atom Count | 47 |
| PI | 7.6 |
| Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCC(=O)Nc1ccc(cc1)F |
| InChI | 1S/C23H17ClFN3OS/c1-14-2-4-15(5-3-14)22-27-20-11-6-16(24)12-19(20)23(28-22)30-13-21(29)26-18-9-7-17(
25)8-10-18/h2-12H,13H2,1H3,(H,26,29) |
| InChIKey | WYJDAZSCQUKGGN-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 | 20599299 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 26352276 |
| ChEMBL Link | CHEMBL1242631 |
