General Information of the Compound
Compound ID
CP0381975
Compound Name
methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate
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Structure
Formula
C19H24N4O3
Molecular Weight
356.426
Canonical SMILES
CCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
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InChI
InChI=1S/C19H24N4O3/c1-5-6-14-22-15-16(23(14)10-19(2,3)25)12-8-7-11(18(24)26-4)9-13(12)21-17(15)20/h7-9,25H,5-6,10H2,1-4H3,(H2,20,21)
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InChIKey
FRWUCWDOQKZMOO-UHFFFAOYSA-N
Physicochemical Property
logP
2.6767
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
103.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 71505730
SID: 163492765
ChEMBL ID
CHEMBL3116319
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 = 23800 nM
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