General Information of the Compound
Compound ID
CP0854852
Compound Name
N-(4-methyl-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine
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Formula
C22H22N4
Molecular Weight
342.446
Canonical SMILES
Cc1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1
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InChI
InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15,23-24H,2-3,6-7H2,1H3
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InChIKey
WXNNVWNRFVWROJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.77232
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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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ChEMBL ID
CHEMBL210380
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 5220 nM
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