General Information of the Compound
Compound ID
CP0849018
Compound Name
1-(3-chlorophenyl)-3-(piperidin-3-ylmethyl)imidazolidin-2-one
    Show/Hide
Structure
Formula
C15H20ClN3O
Molecular Weight
293.798
Canonical SMILES
O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)c1
    Show/Hide
InChI
InChI=1S/C15H20ClN3O/c16-13-4-1-5-14(9-13)19-8-7-18(15(19)20)11-12-3-2-6-17-10-12/h1,4-5,9,12,17H,2-3,6-8,10-11H2
    Show/Hide
InChIKey
FRYFTASOYSPSFB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5816
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46881464
ChEMBL ID
CHEMBL1085673
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 > 7943.28 nM
   TI
   LI
   LO
   TS
2
Ki = 630.96 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 > 630.96 nM
   TI
   LI
   LO
   TS