General Information of the Compound
Compound ID
CP0226511
Compound Name
1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
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Structure
Formula
C24H26ClN5O2
Molecular Weight
451.958
Canonical SMILES
Clc1cccc(c1)N1CCN(CCN2CCC(CC2)c2nnc(o2)-c2ccccc2)C1=O
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InChI
InChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)30-16-15-29(24(30)31)14-13-28-11-9-19(10-12-28)23-27-26-22(32-23)18-5-2-1-3-6-18/h1-8,17,19H,9-16H2
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InChIKey
INZVCQWDAXDGMY-UHFFFAOYSA-N
Physicochemical Property
logP
4.5116
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
65.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 45268346
ChEMBL ID
CHEMBL561326
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 = 501.19 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 501.19 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 = 158.49 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 158.49 nM