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 | ![](./image/EGIN0001075.png) | Structure Backbone | ![](./frame/f_EGIN0001075.png) |
|
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 | - |