General Information of the Compound
Compound ID
CP0266805
Compound Name
1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
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Structure
Formula
C17H24ClN3O
Molecular Weight
321.852
Canonical SMILES
CC1CCCCN1CCN1CCN(C1=O)c1cccc(Cl)c1
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InChI
InChI=1S/C17H24ClN3O/c1-14-5-2-3-8-19(14)9-10-20-11-12-21(17(20)22)16-7-4-6-15(18)13-16/h4,6-7,13-14H,2-3,5,8-12H2,1H3
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InChIKey
ILLQMENNVJLGMH-UHFFFAOYSA-N
Physicochemical Property
logP
3.4564
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
26.79
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 45267270
ChEMBL ID
CHEMBL561054
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 = 25.12 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 = 7.943 nM
   TI
   LI
   LO
   TS