General Information of the Compound
Compound ID
CP0293355
Compound Name
3-{[4-(4-Methoxyphenyl)piperazin-1-yl]methyl}2,5,7-rimethylimidazo[1,2-c]pyrimidine
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Structure
Formula
C21H27N5O
Molecular Weight
365.481
Canonical SMILES
COc1ccc(cc1)N1CCN(Cc2c(C)nc3cc(C)nc(C)n23)CC1
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InChI
InChI=1S/C21H27N5O/c1-15-13-21-23-16(2)20(26(21)17(3)22-15)14-24-9-11-25(12-10-24)18-5-7-19(27-4)8-6-18/h5-8,13H,9-12,14H2,1-4H3
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InChIKey
LPJGAZGHYONJPC-UHFFFAOYSA-N
Physicochemical Property
logP
2.98536
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
45.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 45270813
ChEMBL ID
CHEMBL564709
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 = 160 nM
   TI
   LI
   LO
   TS
2
Ki = 260 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 = 8.5 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 = 960 nM
   TI
   LI
   LO
   TS