General Information of the Compound
Compound ID
CP0524472
Compound Name
1-Methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)methyl)-1H-imidazo[4,5-c]pyridine
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Structure
Formula
C20H21F3N4
Molecular Weight
374.41
Canonical SMILES
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2cnccc12
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InChI
InChI=1S/C20H21F3N4/c1-26-18-6-9-24-12-17(18)25-19(26)13-27-10-7-15(8-11-27)14-2-4-16(5-3-14)20(21,22)23/h2-6,9,12,15H,7-8,10-11,13H2,1H3
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InChIKey
OPQVLALJVICCEZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3667
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
33.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 25008437
SID: 56350412
ChEMBL ID
CHEMBL1774109
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 168 nM
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