General Information of the Compound
Compound ID
CP0568104
Compound Name
ethyl 4-[5-fluoro-2-methoxy-6-(2-methoxyphenyl)pyridin-3-yl]-8-methoxyquinoline-3-carboxylate
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Formula
C26H23FN2O5
Molecular Weight
462.477
Canonical SMILES
CCOC(=O)c1cnc2c(OC)cccc2c1-c1cc(F)c(nc1OC)-c1ccccc1OC
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InChI
InChI=1S/C26H23FN2O5/c1-5-34-26(30)18-14-28-24-16(10-8-12-21(24)32-3)22(18)17-13-19(27)23(29-25(17)33-4)15-9-6-7-11-20(15)31-2/h6-14H,5H2,1-4H3
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InChIKey
BMMDSLWGWCCZAE-UHFFFAOYSA-N
Physicochemical Property
logP
5.3054
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
79.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
34

"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
CHEMBL4795157
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 = 2100 nM
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