| General Property |
| Molceule ID (DB) | EGIN0001075 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3c compound |
| IUPAC Name | (7R)-N-(4-bromo-2-fluorophenyl)-7-[2-(piperidin-1-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 | 11.42 |
| Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCCCC1)ncnc2Nc1c(cc(cc1)Br)F |
| InChI | 1S/C23H24BrFN4O2/c24-15-4-5-19(18(25)10-15)28-23-17-11-22-21(12-20(17)26-14-27-23)30-13-16(31-22)6-9
-29-7-2-1-3-8-29/h4-5,10-12,14,16H,1-3,6-9,13H2,(H,26,27,28)/t16-/m1/s1 |
| InChIKey | WWWDHFKVMUMFIB-MRXNPFEDSA-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 | 0 |
| 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 |
14902286
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
