General Information of the Compound
Compound ID
CP0226510
Compound Name
1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one
    Show/Hide
Structure
Formula
C22H25Cl2N3O
Molecular Weight
418.368
Canonical SMILES
Clc1ccc(cc1)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
    Show/Hide
InChI
InChI=1S/C22H25Cl2N3O/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)12-13-26-14-15-27(22(26)28)21-3-1-2-20(24)16-21/h1-7,16,18H,8-15H2
    Show/Hide
InChIKey
NCDNWTYTZTXJIU-UHFFFAOYSA-N
Physicochemical Property
logP
5.115
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
26.79
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 45268345
ChEMBL ID
CHEMBL561128
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
Biochemical Assays
1 Ki = 251.19 nM
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 = 50.12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 50.12 nM