General Information of the Compound
Compound ID
CP0577625
Compound Name
2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
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Structure
Formula
C15H14N2O2
Molecular Weight
254.289
Canonical SMILES
COc1ccc(-c2cn3ccccc3n2)c(OC)c1
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InChI
InChI=1S/C15H14N2O2/c1-18-11-6-7-12(14(9-11)19-2)13-10-17-8-4-3-5-15(17)16-13/h3-10H,1-2H3
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InChIKey
XCFUVGRQBNMTRO-UHFFFAOYSA-N
Physicochemical Property
logP
3.0185
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
35.76
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 14116985
ChEMBL ID
CHEMBL40254
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: PT01922, Toll-like receptor 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000685 HEK-Blue hTLR9 Homo sapiens (Human)  1
1
IC50 = 10430 nM
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