General Information of the Compound
Compound ID
CP0266807
Compound Name
1-(3-chlorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
    Show/Hide
Structure
Formula
C17H21ClF3N3O
Molecular Weight
375.822
Canonical SMILES
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
    Show/Hide
InChI
InChI=1S/C17H21ClF3N3O/c18-14-2-1-3-15(12-14)24-11-10-23(16(24)25)9-8-22-6-4-13(5-7-22)17(19,20)21/h1-3,12-13H,4-11H2
    Show/Hide
InChIKey
AZORJLGCYRQCSX-UHFFFAOYSA-N
Physicochemical Property
logP
3.8563
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
26.79
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 45273292
ChEMBL ID
CHEMBL562624
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 = 100 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)  1
1
Ki = 1.585 nM
   TI
   LI
   LO
   TS