General Information of the Compound
Compound ID
CP0504403
Compound Name
2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-8-(1H-imidazol-1-yl)-2H-pyrazolo[4,3-c]quinoline
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Structure
Formula
C23H18ClN5O
Molecular Weight
415.884
Canonical SMILES
Clc1ccc(cc1)-n1nc2c(cnc3ccc(cc23)-n2ccnc2)c1OCC1CC1
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InChI
InChI=1S/C23H18ClN5O/c24-16-3-5-17(6-4-16)29-23(30-13-15-1-2-15)20-12-26-21-8-7-18(28-10-9-25-14-28)11-19(21)22(20)27-29/h3-12,14-15H,1-2,13H2
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InChIKey
DOAWPHZLUZJQQM-UHFFFAOYSA-N
Physicochemical Property
logP
5.2016
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
57.76
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 51003493
SID: 117686748
ChEMBL ID
CHEMBL1681899
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 = 134 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 = 2114 nM
   TI
   LI
   LO
   TS