General Information of the Compound
Compound ID
CP0543563
Compound Name
2-(4-methoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
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Structure
Formula
C18H20N4O
Molecular Weight
308.385
Canonical SMILES
COc1ccc(cc1)-c1cn2ccc(cc2n1)N1CCNCC1
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InChI
InChI=1S/C18H20N4O/c1-23-16-4-2-14(3-5-16)17-13-22-9-6-15(12-18(22)20-17)21-10-7-19-8-11-21/h2-6,9,12-13,19H,7-8,10-11H2,1H3
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InChIKey
PPISMDGZKQTGNI-UHFFFAOYSA-N
Physicochemical Property
logP
2.4195
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
41.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 117236452
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000686 HEK-Blue hTLR7 Homo sapiens (Human)  1
1
IC50 = 559 nM
   TI
   LI
   LO
   TS
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 = 803 nM
   TI
   LI
   LO
   TS