| General Property |
| Molceule ID (DB) | EGIN0001733 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 Compound |
| IUPAC Name | N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(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 | 10.96 |
| Smiles | c12c(cc(c(c1)OC1CCN(CC1)C)OC)ncnc2Nc1cccc(c1F)Cl |
| InChI | 1S/C21H22ClFN4O2/c1-27-8-6-13(7-9-27)29-19-10-14-17(11-18(19)28-2)24-12-25-21(14)26-16-5-3-4-15(22)2
0(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26) |
| InChIKey | PUGRPTFZBHHZPM-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 | 16806916 |
| 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 |
10070557
|
| Drug Bank Link | - |
| ChemSpider Link | 8246097 |
| ChEMBL Link | CHEMBL214798 |
