| General Property |
| Molceule ID (DB) | EGIN0003080 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6f compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-(hept-6-yn-1-yloxy)-7-methoxyquinazolin-4-amine |
| Formula | C22H21ClFN3O2 |
| Mass | 413.872 |
| Exact Mass | 413.1306328 |
| Composition | C (63.84%), H (5.11%), Cl (8.57%), F (4.59%), N (10.15%), O (7.73%) |
| Atom Count | 50 |
| PI | 10.35 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCCCC#C |
| InChI | 1S/C22H21ClFN3O2/c1-3-4-5-6-7-10-29-21-12-16-19(13-20(21)28-2)25-14-26-22(16)27-15-8-9-18(24)17(23)1
1-15/h1,8-9,11-14H,4-7,10H2,2H3,(H,25,26,27) |
| InChIKey | FNGTVKLEDZVBQG-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 | 19969465 |
| 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 |
46229813
|
| Drug Bank Link | - |
| ChemSpider Link | 24645037 |
| ChEMBL Link | CHEMBL590558 |
