General Information of the Compound
Compound ID
CP0459648
Compound Name
2-cyclohexyl-3-methylimidazo[4,5-c]quinoline
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Structure
Formula
C17H19N3
Molecular Weight
265.36
Canonical SMILES
Cn1c(nc2c1cnc1ccccc21)C1CCCCC1
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InChI
InChI=1S/C17H19N3/c1-20-15-11-18-14-10-6-5-9-13(14)16(15)19-17(20)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3
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InChIKey
YUVIHAZSLRJYNU-UHFFFAOYSA-N
Physicochemical Property
logP
4.1692
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 56659557
ChEMBL ID
CHEMBL1795704
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 = 22040 nM
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