General Information of the Compound
Compound ID
CP0543570
Compound Name
2-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridin-7-amine
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Structure
Formula
C21H26N4O2
Molecular Weight
366.465
Canonical SMILES
COc1ccc(cc1)-c1cn2ccc(NCCCN3CCOCC3)cc2n1
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InChI
InChI=1S/C21H26N4O2/c1-26-19-5-3-17(4-6-19)20-16-25-10-7-18(15-21(25)23-20)22-8-2-9-24-11-13-27-14-12-24/h3-7,10,15-16,22H,2,8-9,11-14H2,1H3
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InChIKey
OASATYCZTVFPMZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1441
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
51.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 168272152
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 = 1060 nM
   TI
   LI
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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 = 67 nM
   TI
   LI
   LO
   TS