| General Property |
| Molceule ID (DB) | EGIN0000098 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3p compound |
| IUPAC Name | (7S)-N-(3-chloro-4-fluorophenyl)-7-[2-(morpholin-4-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C22H22ClFN4O3 |
| Mass | 444.886 |
| Exact Mass | 444.1364465 |
| Composition | C (59.39%), H (4.98%), Cl (7.97%), F (4.27%), N (12.59%), O (10.79%) |
| Atom Count | 53 |
| PI | 11.48 |
| Smiles | Fc1c(Cl)cc(Nc2ncnc3cc4c(O[C@@H](CCN5CCOCC5)CO4)cc23)cc1 |
| InChI | 1S/C22H22ClFN4O3/c23-17-9-14(1-2-18(17)24)27-22-16-10-21-20(11-19(16)25-13-26-22)30-12-15(31-21)3-4-
28-5-7-29-8-6-28/h1-2,9-11,13,15H,3-8,12H2,(H,25,26,27)/t15-/m0/s1 |
| InChIKey | MDJRCGYNACEKED-HNNXBMFYSA-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 | - |
