General Information of the Compound
Compound ID
CP0438010
Compound Name
2-nonyl-3-prop-2-ynylimidazo[4,5-c]quinoline
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Structure
Formula
C22H27N3
Molecular Weight
333.479
Canonical SMILES
CCCCCCCCCc1nc2c(cnc3ccccc23)n1CC#C
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InChI
InChI=1S/C22H27N3/c1-3-5-6-7-8-9-10-15-21-24-22-18-13-11-12-14-19(18)23-17-20(22)25(21)16-4-2/h2,11-14,17H,3,5-10,15-16H2,1H3
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InChIKey
INUKZKUSPNQTEJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.5108
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 53257974
SID: 124399371
ChEMBL ID
CHEMBL1795708
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 = 8580 nM
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