| General Property |
| Molceule ID (DB) | EGIN0004715 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)quinazoline-4,6-diamine |
| Formula | C25H23BrN4O2 |
| Mass | 491.38 |
| Exact Mass | 490.1004386 |
| Composition | C (61.11%), H (4.72%), Br (16.26%), N (11.4%), O (6.51%) |
| Atom Count | 55 |
| PI | 10.52 |
| Smiles | c1c2OCCCCOc2cc(c1)CNc1cc2c(cc1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C25H23BrN4O2/c26-18-4-3-5-20(13-18)30-25-21-14-19(7-8-22(21)28-16-29-25)27-15-17-6-9-23-24(12-17)
32-11-2-1-10-31-23/h3-9,12-14,16,27H,1-2,10-11,15H2,(H,28,29,30) |
| InChIKey | DETZDVAAKPADRG-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 28512128 |
| ChEMBL Link | - |
