General Information of the Compound
Compound ID
CP0402385
Compound Name
1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
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Structure
Formula
C18H23ClN4O
Molecular Weight
346.862
Canonical SMILES
CCCCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O
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InChI
InChI=1S/C18H23ClN4O/c1-4-5-6-14-22-15-16(23(14)10-18(2,3)24)12-8-7-11(19)9-13(12)21-17(15)20/h7-9,24H,4-6,10H2,1-3H3,(H2,20,21)
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InChIKey
MVENUAKDNZKDGF-UHFFFAOYSA-N
Physicochemical Property
logP
3.9336
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
76.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 155213433
ChEMBL ID
CHEMBL4638690
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 = 84 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 = 1500 nM
   TI
   LI
   LO
   TS