General Information of the Compound
Compound ID
CP0393637
Compound Name
5-(2-ethoxyethoxy)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
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Structure
Formula
C26H35N5O4
Molecular Weight
481.597
Canonical SMILES
CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(CC3)c3ccccc3OC)c2c1
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InChI
InChI=1S/C26H35N5O4/c1-3-34-17-18-35-21-9-12-31-24(19-21)22(20-28-31)26(32)27-10-6-11-29-13-15-30(16-14-29)23-7-4-5-8-25(23)33-2/h4-5,7-9,12,19-20H,3,6,10-11,13-18H2,1-2H3,(H,27,32)
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InChIKey
BEYYMPWIMDYWDO-UHFFFAOYSA-N
Physicochemical Property
logP
2.7003
Rotatable Bonds
12
Heavy Atom Count
35
Polar Areas
80.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
35

"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: 57391897
ChEMBL ID
CHEMBL1928133
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)  2
1
Ki = 6.4 nM
   TI
   LI
   LO
   TS
2
Ki = 29 nM
   TI
   LI
   LO
   TS
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 = 78 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 = 70 nM
   TI
   LI
   LO
   TS