General Information of the Compound
Compound ID
CP0421712
Compound Name
ethyl 8-methoxy-4-[4-(2-methoxypyridin-3-yl)piperazin-1-yl]quinoline-3-carboxylate
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Formula
C23H26N4O4
Molecular Weight
422.485
Canonical SMILES
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cccnc1OC
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InChI
InChI=1S/C23H26N4O4/c1-4-31-23(28)17-15-25-20-16(7-5-9-19(20)29-2)21(17)27-13-11-26(12-14-27)18-8-6-10-24-22(18)30-3/h5-10,15H,4,11-14H2,1-3H3
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InChIKey
WORWGXFYNYYZQL-UHFFFAOYSA-N
Physicochemical Property
logP
3.1503
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
77.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
31

"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).

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ChEMBL ID
CHEMBL4752880
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: PT03457, Metabotropic glutamate receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1500 nM
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