General Information of the Compound
Compound ID
CP0427419
Compound Name
2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)H-pyrazolo[1,5-a]pyridine
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Structure
Formula
C19H22N4O
Molecular Weight
322.412
Canonical SMILES
COc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1
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InChI
InChI=1S/C19H22N4O/c1-24-19-8-3-2-7-18(19)22-12-10-21(11-13-22)15-16-14-17-6-4-5-9-23(17)20-16/h2-9,14H,10-13,15H2,1H3
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InChIKey
PONADOYAURXJAH-UHFFFAOYSA-N
Physicochemical Property
logP
2.6651
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
33.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 45273045
ChEMBL ID
CHEMBL562620
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 280 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 350 nM
   TI
   LI
   LO
   TS
2
Ki = 3600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  8
1
Ki = 44 nM
   TI
   LI
   LO
   TS
2
Ki = 51 nM
   TI
   LI
   LO
   TS
3
Ki = 61 nM
   TI
   LI
   LO
   TS
4
Ki = 340 nM
   TI
   LI
   LO
   TS
5
Ki = 680 nM
   TI
   LI
   LO
   TS
6
Ki = 720 nM
   TI
   LI
   LO
   TS
7
Ki = 770 nM
   TI
   LI
   LO
   TS
8
Ki = 2300 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1200 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2.3 nM
   TI
   LI
   LO
   TS