General Information of the Compound
Compound ID
CP0543263
Compound Name
6-bromo-1-[(1R)-1-(2,6-dichloro-3-cyclopropylphenyl)ethyl]imidazo[4,5-c]pyridine
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Structure
Formula
C17H14BrCl2N3
Molecular Weight
411.13
Canonical SMILES
C[C@H](c1c(Cl)ccc(C2CC2)c1Cl)n1cnc2cnc(Br)cc12
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InChI
InChI=1S/C17H14BrCl2N3/c1-9(23-8-22-13-7-21-15(18)6-14(13)23)16-12(19)5-4-11(17(16)20)10-2-3-10/h4-10H,2-3H2,1H3/t9-/m1/s1
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InChIKey
VGBVZMMGEFPKJB-SECBINFHSA-N
Physicochemical Property
logP
5.9873
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 168286418
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1800 nM
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