| General Property |
| Molceule ID (DB) | EGIN0001079 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | (7R)-N-(3-bromophenyl)-7-[2-(piperidin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C23H25BrN4O2 |
| Mass | 469.374 |
| Exact Mass | 468.1160887 |
| Composition | C (58.85%), H (5.37%), Br (17.02%), N (11.94%), O (6.82%) |
| Atom Count | 55 |
| PI | 12.53 |
| Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCCCC1)ncnc2Nc1cc(ccc1)Br |
| InChI | 1S/C23H25BrN4O2/c24-16-5-4-6-17(11-16)27-23-19-12-22-21(13-20(19)25-15-26-23)29-14-18(30-22)7-10-28-
8-2-1-3-9-28/h4-6,11-13,15,18H,1-3,7-10,14H2,(H,25,26,27)/t18-/m1/s1 |
| InChIKey | QOMTZDSQRXRLJT-GOSISDBHSA-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 |
23260788
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
