General Information of the Compound
Compound ID
CP0543564
Compound Name
2-(2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
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Structure
Formula
C19H22N4O2
Molecular Weight
338.411
Canonical SMILES
COc1ccc(-c2cn3ccc(cc3n2)N2CCNCC2)c(OC)c1
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InChI
InChI=1S/C19H22N4O2/c1-24-15-3-4-16(18(12-15)25-2)17-13-23-8-5-14(11-19(23)21-17)22-9-6-20-7-10-22/h3-5,8,11-13,20H,6-7,9-10H2,1-2H3
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InChIKey
CWMNJPJXUGZCBE-UHFFFAOYSA-N
Physicochemical Property
logP
2.4281
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
51.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 168285327
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 = 308 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 = 46 nM
   TI
   LI
   LO
   TS