General Information of the Compound
Compound ID
CP0569435
Compound Name
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
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Structure
Formula
C25H25ClFN5O
Molecular Weight
465.96
Canonical SMILES
Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccncc12
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InChI
InChI=1S/C25H25ClFN5O/c1-31-23-14-28-10-7-22(23)29-24(31)15-32-11-8-17(9-12-32)21-3-2-4-25(30-21)33-16-18-5-6-19(26)13-20(18)27/h2-7,10,13-14,17H,8-9,11-12,15-16H2,1H3
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InChIKey
MBEHMHLXXRGWSZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.1144
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
56.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 168295496
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: PT01356, Glucagon-like peptide 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 77 nM
   TI
   LI
   LO
   TS
2
EC50 = 2600 nM
   TI
   LI
   LO
   TS
CL001038 PathHunter CHO-K1 GLP1R beta-arrestin-2 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 9600 nM
   TI
   LI
   LO
   TS
2
EC50 > 30000 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 20000 nM
   TI
   LI
   LO
   TS