General Information of the Compound
Compound ID
CP0492827
Compound Name
7-(4-piperidin-1-ylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
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Structure
Formula
C21H19F3N4
Molecular Weight
384.405
Canonical SMILES
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(cc1)N1CCCCC1
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InChI
InChI=1S/C21H19F3N4/c22-21(23,24)12-17-14-26-20-19(13-25)18(8-11-28(17)20)15-4-6-16(7-5-15)27-9-2-1-3-10-27/h4-8,11,14H,1-3,9-10,12H2
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InChIKey
RIVBTJDWGKVPQA-UHFFFAOYSA-N
Physicochemical Property
logP
4.96808
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
44.33
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 42610166
SID: 81045004
ChEMBL ID
CHEMBL606153
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 234.42 nM
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