| General Property |
| Molceule ID (DB) | EGIN0004470 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-[(2-methoxyphenyl)methyl]quinazoline-4,6-diamine |
| Formula | C22H19BrN4O |
| Mass | 435.316 |
| Exact Mass | 434.0742239 |
| Composition | C (60.7%), H (4.4%), Br (18.36%), N (12.87%), O (3.68%) |
| Atom Count | 47 |
| PI | 10.52 |
| Smiles | n1cnc(c2c1ccc(c2)NCc1c(cccc1)OC)Nc1cc(ccc1)Br |
| InChI | 1S/C22H19BrN4O/c1-28-21-8-3-2-5-15(21)13-24-17-9-10-20-19(12-17)22(26-14-25-20)27-18-7-4-6-16(23)11-
18/h2-12,14,24H,13H2,1H3,(H,25,26,27) |
| InChIKey | HDJABPWIIADTPQ-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 |
57397252
|
| Drug Bank Link | - |
| ChemSpider Link | 28430576 |
| ChEMBL Link | CHEMBL1928709 |
