General Information of the Compound
Compound ID
CP0148906
Compound Name
1-(3-chlorophenyl)-3-[2-[3-(3-methoxyphenyl)piperidin-1-yl]ethyl]imidazolidin-2-one
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Structure
Formula
C23H28ClN3O2
Molecular Weight
413.949
Canonical SMILES
COc1cccc(c1)C1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1
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InChI
InChI=1S/C23H28ClN3O2/c1-29-22-9-2-5-18(15-22)19-6-4-10-25(17-19)11-12-26-13-14-27(23(26)28)21-8-3-7-20(24)16-21/h2-3,5,7-9,15-16,19H,4,6,10-14,17H2,1H3
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InChIKey
CUOZZEMLTFRECQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4702
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
36.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 45273523
ChEMBL ID
CHEMBL556496
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
Biochemical Assays
1 Ki = 25.12 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 = 630.96 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 630.96 nM