General Information of the Compound
Compound ID
CP0471858
Compound Name
2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyrazolo[4,3-c]quinoline
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Structure
Formula
C20H16ClN3O
Molecular Weight
349.821
Canonical SMILES
Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCC1CC1
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InChI
InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2
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InChIKey
NFINWJGHOWQVKC-UHFFFAOYSA-N
Physicochemical Property
logP
5.0159
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 53319883
ChEMBL ID
CHEMBL1681885
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: PT03377, Gamma-aminobutyric acid receptor subunit alpha-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 74 nM
   TI
   LI
   LO
   TS
Protein ID: PT03372, Gamma-aminobutyric acid receptor subunit alpha-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 472 nM
   TI
   LI
   LO
   TS