| General Property |
| Molceule ID (DB) | EGIN0003082 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-ethynyl-7-methoxyquinazolin-4-amine |
| Formula | C17H11ClFN3O |
| Mass | 327.74 |
| Exact Mass | 327.0574679 |
| Composition | C (62.3%), H (3.38%), Cl (10.82%), F (5.8%), N (12.82%), O (4.88%) |
| Atom Count | 34 |
| PI | 10.27 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)C#C |
| InChI | 1S/C17H11ClFN3O/c1-3-10-6-12-15(8-16(10)23-2)20-9-21-17(12)22-11-4-5-14(19)13(18)7-11/h1,4-9H,2H3,(H
,20,21,22) |
| InChIKey | FKBQBHXFDOTDGE-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 |
46229815
|
| Drug Bank Link | - |
| ChemSpider Link | 24644794 |
| ChEMBL Link | CHEMBL592860 |
