| General Property |
| Molceule ID (DB) | EGIN0000089 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | (7S)-N-(3-bromophenyl)-7-[2-(piperidin-4-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C23H25BrN4O2 |
| Mass | 469.374 |
| Exact Mass | 468.1160887 |
| Composition | C (58.85%), H (5.37%), Br (17.02%), N (11.94%), O (6.82%) |
| Atom Count | 55 |
| PI | 13.19 |
| Smiles | Brc1cccc(Nc2ncnc3cc4c(O[C@@H](CCC5CCNCC5)CO4)cc23)c1 |
| InChI | 1S/C23H25BrN4O2/c24-16-2-1-3-17(10-16)28-23-19-11-22-21(12-20(19)26-14-27-23)29-13-18(30-22)5-4-15-6
-8-25-9-7-15/h1-3,10-12,14-15,18,25H,4-9,13H2,(H,26,27,28)/t18-/m0/s1 |
| InChIKey | IGONXNRRVIXJNZ-SFHVURJKSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | - |
