General Information of the Compound
Compound ID
CP0465583
Compound Name
ethyl 8-methoxy-4-[4-(3-methoxypyrazin-2-yl)piperazin-1-yl]quinoline-3-carboxylate
    Show/Hide
Formula
C22H25N5O4
Molecular Weight
423.473
Canonical SMILES
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1nccnc1OC
    Show/Hide
InChI
InChI=1S/C22H25N5O4/c1-4-31-22(28)16-14-25-18-15(6-5-7-17(18)29-2)19(16)26-10-12-27(13-11-26)20-21(30-3)24-9-8-23-20/h5-9,14H,4,10-13H2,1-3H3
    Show/Hide
InChIKey
JJWGQRKGTSJHOH-UHFFFAOYSA-N
Physicochemical Property
logP
2.5453
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
89.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4757340
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 = 3000 nM
   TI
   LI
   LO
   TS