General Information of the Compound
Compound ID
CP0406791
Compound Name
1-Benzyl-2-heptyl-1H-imidazo[4,5-c]quinolin-4-amine
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Structure
Formula
C24H28N4
Molecular Weight
372.516
Canonical SMILES
CCCCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1
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InChI
InChI=1S/C24H28N4/c1-2-3-4-5-9-16-21-27-22-23(28(21)17-18-12-7-6-8-13-18)19-14-10-11-15-20(19)26-24(22)25/h6-8,10-15H,2-5,9,16-17H2,1H3,(H2,25,26)
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InChIKey
HTAZDMCWIPXKAA-UHFFFAOYSA-N
Physicochemical Property
logP
5.7279
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
56.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 46830778
SID: 99208555
ChEMBL ID
CHEMBL1086372
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
EC50 = 822 nM
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