General Information of the Compound
Compound ID
CP0569820
Compound Name
N-(5-fluoropyridin-2-yl)-6-(5-fluoropyridin-3-yl)oxyquinoline-8-carboxamide
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Structure
Formula
C20H12F2N4O2
Molecular Weight
378.338
Canonical SMILES
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cc3cccnc23)nc1
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InChI
InChI=1S/C20H12F2N4O2/c21-13-3-4-18(25-10-13)26-20(27)17-8-15(6-12-2-1-5-24-19(12)17)28-16-7-14(22)9-23-11-16/h1-11H,(H,25,26,27)
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InChIKey
ZPUFQWDKWXLIQK-UHFFFAOYSA-N
Physicochemical Property
logP
4.3476
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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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PubChem ID
CID: 145964881
ChEMBL ID
CHEMBL4213773
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 = 8 nM
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