General Information of the Compound
Compound ID
CP0190893
Compound Name
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide
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Structure
Formula
C24H31N5O2
Molecular Weight
421.545
Canonical SMILES
COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1
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InChI
InChI=1S/C24H31N5O2/c1-31-23-11-4-3-10-22(23)28-17-15-27(16-18-28)13-7-2-6-12-25-24(30)20-19-26-29-14-8-5-9-21(20)29/h3-5,8-11,14,19H,2,6-7,12-13,15-18H2,1H3,(H,25,30)
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InChIKey
KQJHXQUMRFPEBH-UHFFFAOYSA-N
Physicochemical Property
logP
3.0652
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
62.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 11133602
SID: 16210091
ChEMBL ID
CHEMBL139600
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 130 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)  1
1
Ki = 7.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 25 nM
2 Ki = 30 nM
3 Ki = 30.2 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)  1
1
Ki = 64.57 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 64 nM
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 = 67.61 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 68 nM