General Property |
Molceule ID (DB) | EGIN0000086 |
Inhibitor Class | Benzo-dioxane |
Molecule Name in Refrence Article | 3d compound |
IUPAC Name | (7R)-N-(4-bromo-2-fluorophenyl)-7-[2-(diethylamino)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
Formula | C22H24BrFN4O2 |
Mass | 475.354 |
Exact Mass | 474.1066669 |
Composition | C (55.59%), H (5.09%), Br (16.81%), F (4%), N (11.79%), O (6.73%) |
Atom Count | 54 |
PI | 11.79 |
Smiles | CCN(CC)CC[C@@H]1COc2c(O1)cc1c(Nc3c(F)cc(Br)cc3)ncnc1c2 |
InChI | 1S/C22H24BrFN4O2/c1-3-28(4-2)8-7-15-12-29-20-11-19-16(10-21(20)30-15)22(26-13-25-19)27-18-6-5-14(23)
9-17(18)24/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3,(H,25,26,27)/t15-/m1/s1 |
InChIKey | FNHOQZINHLSAGD-OAHLLOKOSA-N |
2D Structure | | Structure Backbone | |
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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 | - |