General Information of the Compound
Compound ID
CP0342252
Compound Name
3-{[4-(4-Chlorophenyl)piperazin-1-yl]methyl}-2,5,7-trimethylimidazo[1,2-c]pyrimidine
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Structure
Formula
C20H24ClN5
Molecular Weight
369.9
Canonical SMILES
Cc1nc2cc(C)nc(C)n2c1CN1CCN(CC1)c1ccc(Cl)cc1
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InChI
InChI=1S/C20H24ClN5/c1-14-12-20-23-15(2)19(26(20)16(3)22-14)13-24-8-10-25(11-9-24)18-6-4-17(21)5-7-18/h4-7,12H,8-11,13H2,1-3H3
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InChIKey
AQHZNVAMLJSYRQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.63016
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
36.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 45271691
ChEMBL ID
CHEMBL554692
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 = 26000 nM
   TI
   LI
   LO
   TS
2
Ki = 57000 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 = 3100 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 = 66 nM
   TI
   LI
   LO
   TS