General Information of the Compound
Compound ID
CP0378551
Compound Name
2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-amine
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Structure
Formula
C17H14N4O
Molecular Weight
290.326
Canonical SMILES
COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
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InChI
InChI=1S/C17H14N4O/c1-22-12-6-4-5-11(9-12)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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InChIKey
POCGSYFXHADFKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.1645
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
65.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 44427581
ChEMBL ID
CHEMBL388458
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 32 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 486 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 228.5 nM
   TI
   LI
   LO
   TS