| General Property |
| Molceule ID (DB) | EGIN0004670 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 30 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[3-(diethylamino)propoxy]-7-methoxyquinazolin-4-amine |
| Formula | C22H26ClFN4O2 |
| Mass | 432.919 |
| Exact Mass | 432.172832 |
| Composition | C (61.04%), H (6.05%), Cl (8.19%), F (4.39%), N (12.94%), O (7.39%) |
| Atom Count | 56 |
| PI | 12.96 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCCN(CC)CC |
| InChI | 1S/C22H26ClFN4O2/c1-4-28(5-2)9-6-10-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(2
3)11-15/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27) |
| InChIKey | JJKSOLDGGFGXJF-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 | 11459659 |
| 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 |
19077488
|
| Drug Bank Link | - |
| ChemSpider Link | 13940719 |
| ChEMBL Link | CHEMBL55425 |
