| General Property |
| Molceule ID (DB) | EGIN0001736 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16 Compound |
| IUPAC Name | N-(5-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
| Formula | C22H24ClFN4O2 |
| Mass | 430.903 |
| Exact Mass | 430.1571819 |
| Composition | C (61.32%), H (5.61%), Cl (8.23%), F (4.41%), N (13%), O (7.43%) |
| Atom Count | 54 |
| PI | 11.3 |
| Smiles | c12c(cc(c(c1)OCC1CCN(CC1)C)OC)ncnc2Nc1c(ccc(c1)Cl)F |
| InChI | 1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-18(11-20(21)29-2)25-13-26-22(16)27-19-9-15(23)3-
4-17(19)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) |
| InChIKey | JARRHXQJNGEMMS-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 |
44416673
|
| Drug Bank Link | - |
| ChemSpider Link | 23276099 |
| ChEMBL Link | CHEMBL385471 |
