General Information of the Compound
Compound ID
CP0394355
Compound Name
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
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Structure
Formula
C22H28N4O4
Molecular Weight
412.49
Canonical SMILES
CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCC(=O)OC)C(=O)OC
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InChI
InChI=1S/C22H28N4O4/c1-4-5-8-17-25-19-20(26(17)12-7-6-9-18(27)29-2)15-11-10-14(22(28)30-3)13-16(15)24-21(19)23/h10-11,13H,4-9,12H2,1-3H3,(H2,23,24)
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InChIKey
CBZOGXUGFFQSNJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6392
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
109.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 130289685
ChEMBL ID
CHEMBL4174580
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 = 1740 nM
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