| General Property |
| Molceule ID (DB) | EGIN0001518 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5b compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-ethynylquinazolin-4-amine |
| Formula | C16H9ClFN3 |
| Mass | 297.714 |
| Exact Mass | 297.0469032 |
| Composition | C (64.55%), H (3.05%), Cl (11.91%), F (6.38%), N (14.11%) |
| Atom Count | 30 |
| PI | 9.95 |
| Smiles | c12c(ccc(c1)C#C)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C16H9ClFN3/c1-2-10-3-6-15-12(7-10)16(20-9-19-15)21-11-4-5-14(18)13(17)8-11/h1,3-9H,(H,19,20,21) |
| InChIKey | QQMOCUDUISYUKW-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 | 17889528 |
| 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 |
22478429
|
| Drug Bank Link | - |
| ChemSpider Link | 11411746 |
| ChEMBL Link | CHEMBL249509 |
