General Information of the Compound
Compound ID
CP0343244
Compound Name
2,5,7-Trimethyl-3-[4-(2-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine
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Structure
Formula
C19H24N6
Molecular Weight
336.443
Canonical SMILES
Cc1nc2cc(C)nc(C)n2c1CN1CCN(CC1)c1ccccn1
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InChI
InChI=1S/C19H24N6/c1-14-12-19-22-15(2)17(25(19)16(3)21-14)13-23-8-10-24(11-9-23)18-6-4-5-7-20-18/h4-7,12H,8-11,13H2,1-3H3
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InChIKey
URKAJHJBVOPDPZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.37176
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
49.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 45269161
ChEMBL ID
CHEMBL562384
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 = 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 17000 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 = 640 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 = 120 nM
   TI
   LI
   LO
   TS