General Information of the Compound
Compound ID
CP0459645
Compound Name
2-cyclohexyl-3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline
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Structure
Formula
C24H25N3O
Molecular Weight
371.484
Canonical SMILES
COc1ccc(Cn2c(nc3c2cnc2ccccc32)C2CCCCC2)cc1
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InChI
InChI=1S/C24H25N3O/c1-28-19-13-11-17(12-14-19)16-27-22-15-25-21-10-6-5-9-20(21)23(22)26-24(27)18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8,16H2,1H3
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InChIKey
JPBOVAXQHRIPAW-UHFFFAOYSA-N
Physicochemical Property
logP
5.6891
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 56663006
ChEMBL ID
CHEMBL1795701
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 19900 nM
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