| General Property |
| Molceule ID (DB) | EGIN0000091 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3i compound |
| IUPAC Name | (7S)-N-(3-bromophenyl)-7-[2-(pyrrolidin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C22H23BrN4O2 |
| Mass | 455.348 |
| Exact Mass | 454.1004386 |
| Composition | C (58.03%), H (5.09%), Br (17.55%), N (12.3%), O (7.03%) |
| Atom Count | 52 |
| PI | 12.59 |
| Smiles | Brc1cccc(Nc2ncnc3cc4c(O[C@@H](CCN5CCCC5)CO4)cc23)c1 |
| InChI | 1S/C22H23BrN4O2/c23-15-4-3-5-16(10-15)26-22-18-11-21-20(12-19(18)24-14-25-22)28-13-17(29-21)6-9-27-7
-1-2-8-27/h3-5,10-12,14,17H,1-2,6-9,13H2,(H,24,25,26)/t17-/m0/s1 |
| InChIKey | DXQGWUPXNWYFOX-KRWDZBQOSA-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 | - |
