General Information of the Compound
Compound ID
CP0483628
Compound Name
3-(2-cyclohexylimidazo[4,5-c]quinolin-3-yl)propan-1-ol
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Structure
Formula
C19H23N3O
Molecular Weight
309.413
Canonical SMILES
OCCCn1c(nc2c1cnc1ccccc21)C1CCCCC1
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InChI
InChI=1S/C19H23N3O/c23-12-6-11-22-17-13-20-16-10-5-4-9-15(16)18(17)21-19(22)14-7-2-1-3-8-14/h4-5,9-10,13-14,23H,1-3,6-8,11-12H2
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InChIKey
IQILQGYHXRWQPX-UHFFFAOYSA-N
Physicochemical Property
logP
4.0146
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 56669899
ChEMBL ID
CHEMBL1795702
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 = 20320 nM
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