| General Property |
| Molceule ID (DB) | EGIN0000589 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-5-(piperidin-4-yloxy)quinazolin-4-amine |
| Formula | C20H20ClFN4O2 |
| Mass | 402.85 |
| Exact Mass | 402.1258818 |
| Composition | C (59.63%), H (5%), Cl (8.8%), F (4.72%), N (13.91%), O (7.94%) |
| Atom Count | 48 |
| PI | 12.46 |
| Smiles | c12c(cc(cc1OC1CCNCC1)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C20H20ClFN4O2/c1-27-14-9-17-19(18(10-14)28-13-4-6-23-7-5-13)20(25-11-24-17)26-12-2-3-16(22)15(21)
8-12/h2-3,8-11,13,23H,4-7H2,1H3,(H,24,25,26) |
| InChIKey | JFJUDTHJJPEOAI-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 | 16380259 |
| 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 | 23268140 |
| ChEMBL Link | CHEMBL205149 |
