General Information of the Compound
Compound ID
CP0911227
Compound Name
(2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phenyl-amine
    Show/Hide
Formula
C21H20N4
Molecular Weight
328.419
Canonical SMILES
c1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1
    Show/Hide
InChI
InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14,22-23H,4-5,8-9H2
    Show/Hide
InChIKey
SLVRVRBSUMQWAC-UHFFFAOYSA-N
Physicochemical Property
logP
5.4639
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL442333
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 = 3150 nM
   TI
   LI
   LO
   TS