General Information of the Compound
Compound ID
CP0541759
Compound Name
1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
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Structure
Formula
C17H21ClN4O2
Molecular Weight
348.834
Canonical SMILES
CCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O
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InChI
InChI=1S/C17H21ClN4O2/c1-4-24-8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20)
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InChIKey
ASQUILZWUACGIO-UHFFFAOYSA-N
Physicochemical Property
logP
3.1275
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
86.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 10089136
SID: 15076138
ChEMBL ID
CHEMBL4643293
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 = 630 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 = 4900 nM
   TI
   LI
   LO
   TS