General Information of the Compound
Compound ID
CP0458275
Compound Name
2-methyl-1-(2-nonylimidazo[4,5-c]quinolin-3-yl)propan-2-ol
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Structure
Formula
C23H33N3O
Molecular Weight
367.537
Canonical SMILES
CCCCCCCCCc1nc2c(cnc3ccccc23)n1CC(C)(C)O
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InChI
InChI=1S/C23H33N3O/c1-4-5-6-7-8-9-10-15-21-25-22-18-13-11-12-14-19(18)24-16-20(22)26(21)17-23(2,3)27/h11-14,16,27H,4-10,15,17H2,1-3H3
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InChIKey
FCJCVHHQMZPZDZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.6485
Rotatable Bonds
10
Heavy Atom Count
27
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 56666485
ChEMBL ID
CHEMBL1795705
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 = 14400 nM
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