General Information of the Compound
Compound ID
CP0106887
Compound Name
6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
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Structure
Formula
C14H14N4O
Molecular Weight
254.293
Canonical SMILES
N#Cc1ccc(COc2cc3CCCCn3n2)nc1
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InChI
InChI=1S/C14H14N4O/c15-8-11-4-5-12(16-9-11)10-19-14-7-13-3-1-2-6-18(13)17-14/h4-5,7,9H,1-3,6,10H2
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InChIKey
VRLYYUCAOLPBEH-UHFFFAOYSA-N
Physicochemical Property
logP
2.06508
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
63.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 53392102
SID: 125320343
ChEMBL ID
CHEMBL2408183
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 = 316 nM
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