General Information of the Compound
Compound ID
CP0092521
Compound Name
1-(3-chlorophenyl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazolidin-2-one
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Structure
Formula
C15H20ClN3O2
Molecular Weight
309.797
Canonical SMILES
COC[C@@H]1CCCN1N1CCN(C1=O)c1cccc(Cl)c1
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InChI
InChI=1S/C15H20ClN3O2/c1-21-11-14-6-3-7-18(14)19-9-8-17(15(19)20)13-5-2-4-12(16)10-13/h2,4-5,10,14H,3,6-9,11H2,1H3/t14-/m0/s1
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InChIKey
AQPYEVVJFZDJNJ-AWEZNQCLSA-N
Physicochemical Property
logP
2.6078
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
36.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 45273510
ChEMBL ID
CHEMBL555744
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 = 79.43 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 79.43 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 = 79.43 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 79.43 nM