General Information of the Compound
Compound ID
CP0307028
Compound Name
1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazolidin-2-one
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Structure
Formula
C16H23ClN4O
Molecular Weight
322.84
Canonical SMILES
CN1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
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InChI
InChI=1S/C16H23ClN4O/c1-18-5-7-19(8-6-18)9-10-20-11-12-21(16(20)22)15-4-2-3-14(17)13-15/h2-4,13H,5-12H2,1H3
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InChIKey
FJWCYEPZDVUXMR-UHFFFAOYSA-N
Physicochemical Property
logP
1.8294
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
30.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 45272438
ChEMBL ID
CHEMBL571221
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
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