General Information of the Compound
Compound ID
CP0167459
Compound Name
2,5,7-Trimethyl-3-[4-(phenylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine
    Show/Hide
Structure
Formula
C20H25N5
Molecular Weight
335.455
Canonical SMILES
Cc1nc2cc(C)nc(C)n2c1CN1CCN(CC1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C20H25N5/c1-15-13-20-22-16(2)19(25(20)17(3)21-15)14-23-9-11-24(12-10-23)18-7-5-4-6-8-18/h4-8,13H,9-12,14H2,1-3H3
    Show/Hide
InChIKey
DNBHELXBRXDBSY-UHFFFAOYSA-N
Physicochemical Property
logP
2.97676
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
36.67
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 45270021
ChEMBL ID
CHEMBL550392
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 = 8600 nM
   TI
   LI
   LO
   TS
2
Ki = 11000 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 = 4200 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 = 70 nM
   TI
   LI
   LO
   TS