| General Property |
| Molceule ID (DB) | EGIN0004731 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-4,6-diamine |
| Formula | C24H21BrN4O2 |
| Mass | 477.353 |
| Exact Mass | 476.0847886 |
| Composition | C (60.39%), H (4.43%), Br (16.74%), N (11.74%), O (6.7%) |
| Atom Count | 52 |
| PI | 10.52 |
| Smiles | c1c2OCCCOc2cc(c1)CNc1cc2c(cc1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C24H21BrN4O2/c25-17-3-1-4-19(12-17)29-24-20-13-18(6-7-21(20)27-15-28-24)26-14-16-5-8-22-23(11-16)
31-10-2-9-30-22/h1,3-8,11-13,15,26H,2,9-10,14H2,(H,27,28,29) |
| InChIKey | GGUUHEFKRMTXOW-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 | VEGFR2 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 28512126 |
| ChEMBL Link | - |
