| General Property |
| Molceule ID (DB) | EGIN0001522 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5f compound |
| IUPAC Name | 4-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}but-3-yn-1-ol |
| Formula | C18H13ClFN3O |
| Mass | 341.767 |
| Exact Mass | 341.073118 |
| Composition | C (63.26%), H (3.83%), Cl (10.37%), F (5.56%), N (12.29%), O (4.68%) |
| Atom Count | 37 |
| PI | 9.66 |
| Smiles | c12c(ccc(c1)C#CCCO)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C18H13ClFN3O/c19-15-10-13(5-6-16(15)20)23-18-14-9-12(3-1-2-8-24)4-7-17(14)21-11-22-18/h4-7,9-11,2
4H,2,8H2,(H,21,22,23) |
| InChIKey | WZAHNIGELIOSPL-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 |
44442137
|
| Drug Bank Link | - |
| ChemSpider Link | 23306715 |
| ChEMBL Link | CHEMBL249921 |
