General Information of the Compound
Compound ID
CP0295407
Compound Name
1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
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Structure
Formula
C19H27F3N4O2
Molecular Weight
400.445
Canonical SMILES
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1
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InChI
InChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3
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InChIKey
GNQOCBGVODGUEX-UHFFFAOYSA-N
Physicochemical Property
logP
2.8532
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
39.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 45271520
ChEMBL ID
CHEMBL549894
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)  1
1
Ki = 251.19 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 = 3.162 nM
   TI
   LI
   LO
   TS