| General Property |
| Molceule ID (DB) | EGIN0000095 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3m compound |
| IUPAC Name | (7R)-N-(3-chlorophenyl)-7-[2-(diethylamino)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C22H25ClN4O2 |
| Mass | 412.913 |
| Exact Mass | 412.1666038 |
| Composition | C (63.99%), H (6.1%), Cl (8.59%), N (13.57%), O (7.75%) |
| Atom Count | 54 |
| PI | 12.87 |
| Smiles | CCN(CC)CC[C@@H]1COc2c(O1)cc1c(Nc3cc(Cl)ccc3)ncnc1c2 |
| InChI | 1S/C22H25ClN4O2/c1-3-27(4-2)9-8-17-13-28-20-12-19-18(11-21(20)29-17)22(25-14-24-19)26-16-7-5-6-15(23
)10-16/h5-7,10-12,14,17H,3-4,8-9,13H2,1-2H3,(H,24,25,26)/t17-/m1/s1 |
| InChIKey | SKDVSHITYVOGDO-QGZVFWFLSA-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 | - |
