General Information of the Compound
Compound ID
CP0475418
Compound Name
4-amino-2-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-ol
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Structure
Formula
C18H24N4O
Molecular Weight
312.417
Canonical SMILES
CCCCc1nc2c(N)nc3cc(O)ccc3c2n1CC(C)C
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InChI
InChI=1S/C18H24N4O/c1-4-5-6-15-21-16-17(22(15)10-11(2)3)13-8-7-12(23)9-14(13)20-18(16)19/h7-9,11,23H,4-6,10H2,1-3H3,(H2,19,20)
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InChIKey
PYPCPBDCDWVNSI-UHFFFAOYSA-N
Physicochemical Property
logP
3.8709
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
76.96
Hydrogen Bond Donor Count
2
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: 155213914
ChEMBL ID
CHEMBL4646933
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 = 73 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