General Information of the Compound
Compound ID
CP0355375
Compound Name
6-bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine
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Structure
Formula
C19H21BrN4O
Molecular Weight
401.308
Canonical SMILES
COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
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InChI
InChI=1S/C19H21BrN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
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InChIKey
OZGYKPPQUQUAJA-UHFFFAOYSA-N
Physicochemical Property
logP
3.4276
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
33.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 11574902
SID: 16677259
ChEMBL ID
CHEMBL211164
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 = 130 nM
   TI
   LI
   LO
   TS
2
Ki = 140 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 = 800 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 = 0.25 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.25 nM