| General Property |
| Molceule ID (DB) | EGIN0004468 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 5d compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-[(4-fluorophenyl)methyl]quinazoline-4,6-diamine |
| Formula | C21H16BrFN4 |
| Mass | 423.281 |
| Exact Mass | 422.0542374 |
| Composition | C (59.59%), H (3.81%), Br (18.88%), F (4.49%), N (13.24%) |
| Atom Count | 43 |
| PI | 10.52 |
| Smiles | n1cnc(c2c1ccc(c2)NCc1ccc(cc1)F)Nc1cc(ccc1)Br |
| InChI | 1S/C21H16BrFN4/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 | JTTICWMJMWZAGQ-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 |
57395406
|
| Drug Bank Link | - |
| ChemSpider Link | 28430577 |
| ChEMBL Link | CHEMBL1928710 |
