| General Property |
| Molceule ID (DB) | EGIN0000592 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | 1-[4-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-5-yl}oxy)piperidin-1-yl]ethan-1-one |
| Formula | C22H22ClFN4O3 |
| Mass | 444.886 |
| Exact Mass | 444.1364465 |
| Composition | C (59.39%), H (4.98%), Cl (7.97%), F (4.27%), N (12.59%), O (10.79%) |
| Atom Count | 53 |
| PI | 10.05 |
| Smiles | c12c(cc(cc1OC1CCN(CC1)C(=O)C)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C22H22ClFN4O3/c1-13(29)28-7-5-15(6-8-28)31-20-11-16(30-2)10-19-21(20)22(26-12-25-19)27-14-3-4-18(
24)17(23)9-14/h3-4,9-12,15H,5-8H2,1-2H3,(H,25,26,27) |
| InChIKey | PFFBKPJBLXBNND-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 | 23267825 |
| ChEMBL Link | CHEMBL204330 |
