| General Property |
| Molceule ID (DB) | EGIN0004442 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 6d compound |
| IUPAC Name | 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]quinazoline-4,6-diamine |
| Formula | C21H16ClFN4 |
| Mass | 378.83 |
| Exact Mass | 378.1047524 |
| Composition | C (66.58%), H (4.26%), Cl (9.36%), F (5.02%), N (14.79%) |
| Atom Count | 43 |
| PI | 10.48 |
| Smiles | n1cnc(c2c1ccc(c2)NCc1ccc(cc1)F)Nc1cc(ccc1)Cl |
| InChI | 1S/C21H16ClFN4/c22-15-2-1-3-18(10-15)27-21-19-11-17(8-9-20(19)25-13-26-21)24-12-14-4-6-16(23)7-5-14/
h1-11,13,24H,12H2,(H,25,26,27) |
| InChIKey | VGXWVXZEXJZFAC-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 | 22112541 |
| 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 |
57395420
|
| Drug Bank Link | - |
| ChemSpider Link | 28489352 |
| ChEMBL Link | CHEMBL1928888 |
