General Information of the Compound
Compound ID
CP0058895
Compound Name
2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine
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Structure
Formula
C19H22N4O
Molecular Weight
322.412
Canonical SMILES
COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1
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InChI
InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-23-9-5-4-8-19(23)20-16/h2-9,15H,10-14H2,1H3
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InChIKey
QGLGNPCWSBQHAU-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: 6469693
SID: 16748849
ChEMBL ID
CHEMBL212631
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)  3
1
Ki = 110 nM
   TI
   LI
   LO
   TS
2
Ki = 930 nM
   TI
   LI
   LO
   TS
3
Ki = 990 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 400 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 = 3900 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
EC50 = 3 nM
   TI
   LI
   LO
   TS
2
Ki = 2.8 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.8 nM