General Information of the Compound
Compound ID
CP0324173
Compound Name
3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-7-methylH-pyrazolo[1,5-a]pyridine
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Structure
Formula
C19H21ClN4
Molecular Weight
340.858
Canonical SMILES
Cc1cccc2c(CN3CCN(CC3)c3ccc(Cl)cc3)cnn12
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InChI
InChI=1S/C19H21ClN4/c1-15-3-2-4-19-16(13-21-24(15)19)14-22-9-11-23(12-10-22)18-7-5-17(20)6-8-18/h2-8,13H,9-12,14H2,1H3
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InChIKey
UIYATCKYXWPCQG-UHFFFAOYSA-N
Physicochemical Property
logP
3.61832
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
23.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 44270558
ChEMBL ID
CHEMBL423247
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: PT01358, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2200 nM
   TI
   LI
   LO
   TS
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)  2
1
Ki = 4900 nM
   TI
   LI
   LO
   TS
2
Ki = 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4897.79 nM
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 3715.35 nM
   TI
   LI
   LO
   TS
2
Ki = 3800 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)  2
1
Ki = 2.692 nM
   TI
   LI
   LO
   TS
2
Ki = 2.7 nM
   TI
   LI
   LO
   TS