General Information of the Compound
Compound ID
CP0389057
Compound Name
1-(2-cyclohexylimidazo[4,5-c]quinolin-3-yl)-2-methylpropan-2-ol
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Structure
Formula
C20H25N3O
Molecular Weight
323.44
Canonical SMILES
CC(C)(O)Cn1c(nc2c1cnc1ccccc21)C1CCCCC1
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InChI
InChI=1S/C20H25N3O/c1-20(2,24)13-23-17-12-21-16-11-7-6-10-15(16)18(17)22-19(23)14-8-4-3-5-9-14/h6-7,10-12,14,24H,3-5,8-9,13H2,1-2H3
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InChIKey
TWPHGBQOJOMMBL-UHFFFAOYSA-N
Physicochemical Property
logP
4.4031
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 56659528
ChEMBL ID
CHEMBL1795700
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 = 38730 nM
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