General Information of the Compound
| Compound ID |
CP0568671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClF3N6
|
||||||||||||||||||
| Molecular Weight |
410.831
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClF3N6/c1-26-14-3-2-4-23-16(14)25-15(26)11-27-5-7-28(8-6-27)17-13(19)9-12(10-24-17)18(20,21)22/h2-4,9-10H,5-8,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMOSANHURQDXDL-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