General Information of the Compound
Compound ID
CP0039086
Compound Name
1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
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Structure
Formula
C15H20ClN3O
Molecular Weight
293.798
Canonical SMILES
Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O
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InChI
InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2
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InChIKey
HVSRNYNPOUFDNJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7241
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 46881463
ChEMBL ID
CHEMBL1085672
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
EC50 = 0.631 nM
   TI
   LI
   LO
   TS
2
Ki = 79.43 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)  2
1
EC50 > 3162.28 nM
   TI
   LI
   LO
   TS
2
Ki = 3.981 nM
   TI
   LI
   LO
   TS