General Information of the Compound
| Compound ID |
CP0372783
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(3-(3-chloropyridin-4-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18ClN5O
|
||||||||||||||||||
| Molecular Weight |
391.862
|
||||||||||||||||||
| Canonical SMILES |
Clc1cnccc1-c1noc(n1)C1CCN(CC1)c1cnc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18ClN5O/c22-18-13-23-8-5-17(18)20-25-21(28-26-20)14-6-9-27(10-7-14)16-11-15-3-1-2-4-19(15)24-12-16/h1-5,8,11-14H,6-7,9-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NDFFJTYPUYJISE-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2