General Information of the Compound
Compound ID
CP0524814
Compound Name
2-[(6-chloropyridin-2-yl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
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Structure
Formula
C13H14ClN3O
Molecular Weight
263.728
Canonical SMILES
Clc1cccc(COc2cc3CCCCn3n2)n1
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InChI
InChI=1S/C13H14ClN3O/c14-12-6-3-4-10(15-12)9-18-13-8-11-5-1-2-7-17(11)16-13/h3-4,6,8H,1-2,5,7,9H2
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InChIKey
STQLZLWREACPIX-UHFFFAOYSA-N
Physicochemical Property
logP
2.8468
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 71813658
ChEMBL ID
CHEMBL2408186
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5897 nM
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