General Information of the Compound
Compound ID
CP0548716
Compound Name
N-benzyl-2-(5-chloropyridin-2-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
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Structure
Formula
C20H17ClN4
Molecular Weight
348.837
Canonical SMILES
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)cn1
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InChI
InChI=1S/C20H17ClN4/c1-14-7-10-18-24-19(17-9-8-16(21)12-22-17)20(25(18)13-14)23-11-15-5-3-2-4-6-15/h2-10,12-13,23H,11H2,1H3
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InChIKey
MWUDXZMTFVOLHM-UHFFFAOYSA-N
Physicochemical Property
logP
4.97022
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
42.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 137651395
ChEMBL ID
CHEMBL4076011
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: PT01286, Bile acid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 7.4 nM
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