General Information of the Compound
Compound ID
CP0473444
Compound Name
7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
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Structure
Formula
C17H21ClN4O
Molecular Weight
332.835
Canonical SMILES
CCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)C
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InChI
InChI=1S/C17H21ClN4O/c1-4-23-9-14-21-15-16(22(14)8-10(2)3)12-6-5-11(18)7-13(12)20-17(15)19/h5-7,10H,4,8-9H2,1-3H3,(H2,19,20)
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InChIKey
VKGYJTKACRVLNG-UHFFFAOYSA-N
Physicochemical Property
logP
4.0126
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
65.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 155213434
ChEMBL ID
CHEMBL4645797
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
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
EC50 = 910 nM
   TI
   LI
   LO
   TS
Protein ID: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS