| General Property |
| Molceule ID (DB) | EGIN0004745 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)quinazoline-4,6-diamine |
| Formula | C23H19BrN4O2 |
| Mass | 463.327 |
| Exact Mass | 462.0691385 |
| Composition | C (59.62%), H (4.13%), Br (17.25%), N (12.09%), O (6.91%) |
| Atom Count | 49 |
| PI | 10.52 |
| Smiles | c1c2OCCOc2cc(c1)CNc1cc2c(cc1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C23H19BrN4O2/c24-16-2-1-3-18(11-16)28-23-19-12-17(5-6-20(19)26-14-27-23)25-13-15-4-7-21-22(10-15)
30-9-8-29-21/h1-7,10-12,14,25H,8-9,13H2,(H,26,27,28) |
| InChIKey | HCKKSKAPOHHGNB-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 | 22901387 |
| 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 |
11202074
|
| Drug Bank Link | - |
| ChemSpider Link | 9377142 |
| ChEMBL Link | - |
