| General Property |
| Molceule ID (DB) | EGIN0000099 |
| Inhibitor Class | Benzo-dioxane |
| Molecule Name in Refrence Article | 3q compound |
| IUPAC Name | (7S)-N-(3-chloro-4-fluorophenyl)-7-[2-(piperidin-4-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C23H24ClFN4O2 |
| Mass | 442.914 |
| Exact Mass | 442.1571819 |
| Composition | C (62.37%), H (5.46%), Cl (8%), F (4.29%), N (12.65%), O (7.22%) |
| Atom Count | 55 |
| PI | 13.22 |
| Smiles | Fc1c(Cl)cc(Nc2ncnc3cc4c(O[C@@H](CCC5CCNCC5)CO4)cc23)cc1 |
| InChI | 1S/C23H24ClFN4O2/c24-18-9-15(2-4-19(18)25)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 | SHJZPYAVXFIIHV-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 | - |
