General Information of the Compound
Compound ID |
CP0436216
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N-(1-adamantyl)-6-(3-chloro-4-fluorophenoxy)-4-oxo-1-pentylquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C31H34ClFN2O3
|
||||||||||||||||||
Molecular Weight |
537.075
|
||||||||||||||||||
Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Oc3ccc(F)c(Cl)c3)ccc12
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C31H34ClFN2O3/c1-2-3-4-9-35-18-25(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)24-13-22(6-8-28(24)35)38-23-5-7-27(33)26(32)14-23/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)
Show/Hide
|
||||||||||||||||||
InChIKey |
JQRHFVVBMKWFEA-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