General Information of the Compound
| Compound ID |
CP0529771
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((4-(2-Fluoro-4-(trifluoromethoxy)phenyl)piperidin-1-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F4N4O
|
||||||||||||||||||
| Molecular Weight |
408.399
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CN2CCC(CC2)c2ccc(OC(F)(F)F)cc2F)nc2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F4N4O/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)29-20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVBOYSGJAJVORN-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 | |||||||||||||||||||
| ChEMBL 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