| General Property |
| Molceule ID (DB) | EGIN0000085 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3c compound |
| IUPAC Name | (7S)-N-(4-bromo-2-fluorophenyl)-7-[2-(piperidin-4-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C23H24BrFN4O2 |
| Mass | 487.365 |
| Exact Mass | 486.1066669 |
| Composition | C (56.68%), H (4.96%), Br (16.4%), F (3.9%), N (11.5%), O (6.57%) |
| Atom Count | 55 |
| PI | 12.06 |
| Smiles | Fc1c(Nc2ncnc3cc4c(O[C@@H](CCC5CCNCC5)CO4)cc23)ccc(Br)c1 |
| InChI | 1S/C23H24BrFN4O2/c24-15-2-4-19(18(25)9-15)29-23-17-10-22-21(11-20(17)27-13-28-23)30-12-16(31-22)3-1-
14-5-7-26-8-6-14/h2,4,9-11,13-14,16,26H,1,3,5-8,12H2,(H,27,28,29)/t16-/m0/s1 |
| InChIKey | AUFYYIKRVAVBGB-INIZCTEOSA-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 | - |
