| General Property |
| Molceule ID (DB) | EGIN0004463 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 5g compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-[(3-chlorophenyl)methyl]quinazoline-4,6-diamine |
| Formula | C21H16BrClN4 |
| Mass | 439.736 |
| Exact Mass | 438.0246869 |
| Composition | C (57.36%), H (3.67%), Br (18.17%), Cl (8.06%), N (12.74%) |
| Atom Count | 43 |
| PI | 10.52 |
| Smiles | n1cnc(c2c1ccc(c2)NCc1cc(ccc1)Cl)Nc1cc(ccc1)Br |
| InChI | 1S/C21H16BrClN4/c22-15-4-2-6-18(10-15)27-21-19-11-17(7-8-20(19)25-13-26-21)24-12-14-3-1-5-16(23)9-14
/h1-11,13,24H,12H2,(H,25,26,27) |
| InChIKey | AFQZHRYPJDBDFI-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
