| General Property |
| Molceule ID (DB) | EGIN0000087 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3e compound |
| IUPAC Name | (7R)-N-(3-bromophenyl)-7-[2-(4-methylpiperazin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C23H26BrN5O2 |
| Mass | 484.389 |
| Exact Mass | 483.1269877 |
| Composition | C (57.03%), H (5.41%), Br (16.5%), N (14.46%), O (6.61%) |
| Atom Count | 57 |
| PI | 12.23 |
| Smiles | CN1CCN(CC[C@@H]2COc3c(O2)cc2c(Nc4cc(Br)ccc4)ncnc2c3)CC1 |
| InChI | 1S/C23H26BrN5O2/c1-28-7-9-29(10-8-28)6-5-18-14-30-21-13-20-19(12-22(21)31-18)23(26-15-25-20)27-17-4-
2-3-16(24)11-17/h2-4,11-13,15,18H,5-10,14H2,1H3,(H,25,26,27)/t18-/m1/s1 |
| InChIKey | DNBBBPPPPRFSPA-GOSISDBHSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
