| General Property |
| Molceule ID (DB) | EGIN0000083 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | (7R)-N-(4-bromo-2-fluorophenyl)-7-[2-(4-methylpiperazin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C23H25BrFN5O2 |
| Mass | 502.379 |
| Exact Mass | 501.1175659 |
| Composition | C (54.99%), H (5.02%), Br (15.91%), F (3.78%), N (13.94%), O (6.37%) |
| Atom Count | 57 |
| PI | 11.1 |
| Smiles | CN1CCN(CC[C@@H]2COc3c(O2)cc2c(Nc4c(F)cc(Br)cc4)ncnc2c3)CC1 |
| InChI | 1S/C23H25BrFN5O2/c1-29-6-8-30(9-7-29)5-4-16-13-31-21-12-20-17(11-22(21)32-16)23(27-14-26-20)28-19-3-
2-15(24)10-18(19)25/h2-3,10-12,14,16H,4-9,13H2,1H3,(H,26,27,28)/t16-/m1/s1 |
| InChIKey | XLSBJBFIKZFEKU-MRXNPFEDSA-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 | 21732342 |
| 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 | - |
| ChEMBL Link | - |
