General Information of the Compound
| Compound ID |
CP0546293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-tert-butyl-5-(4-fluorophenyl)-4-[2-(trifluoromethoxy)phenoxy]thieno[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F4N2O2S
|
||||||||||||||||||
| Molecular Weight |
462.468
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F4N2O2S/c1-22(2,3)19-17(13-8-10-14(24)11-9-13)18-20(28-12-29-21(18)32-19)30-15-6-4-5-7-16(15)31-23(25,26)27/h4-12H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFFVMFLTTADAFR-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound