| General Property |
| Molceule ID (DB) | EGIN0000587 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-methoxy-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
| Formula | C21H22ClFN4O2 |
| Mass | 416.876 |
| Exact Mass | 416.1415319 |
| Composition | C (60.5%), H (5.32%), Cl (8.5%), F (4.56%), N (13.44%), O (7.68%) |
| Atom Count | 51 |
| PI | 11.95 |
| Smiles | c12c(ccc(c1OC1CCN(CC1)C)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C21H22ClFN4O2/c1-27-9-7-14(8-10-27)29-20-18(28-2)6-5-17-19(20)21(25-12-24-17)26-13-3-4-16(23)15(2
2)11-13/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,25,26) |
| InChIKey | KLRDWNMMZDDJGS-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 | 23267860 |
| ChEMBL Link | CHEMBL203936 |
