General Information of the Compound
Compound ID
CP0852032
Compound Name
N-(3,4-dichloro-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine
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Formula
C21H18Cl2N4
Molecular Weight
397.309
Canonical SMILES
Clc1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1Cl
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InChI
InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12,24-25H,1-2,5-6H2
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InChIKey
VLXKJCAVDXBDGV-UHFFFAOYSA-N
Physicochemical Property
logP
6.7707
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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
CHEMBL207209
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 > 10000 nM
   TI
   LI
   LO
   TS