General Information of the Compound
Compound ID
CP0092519
Compound Name
1-(3-chlorophenyl)-3-[2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethyl]imidazolidin-2-one
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Structure
Formula
C17H21ClN4O2
Molecular Weight
348.834
Canonical SMILES
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc(C)no1
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InChI
InChI=1S/C17H21ClN4O2/c1-13-10-16(24-19-13)12-20(2)6-7-21-8-9-22(17(21)23)15-5-3-4-14(18)11-15/h3-5,10-11H,6-9,12H2,1-2H3
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InChIKey
ZLUNFIBGQZUIIC-UHFFFAOYSA-N
Physicochemical Property
logP
3.01042
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
52.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 45270916
ChEMBL ID
CHEMBL549438
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 = 158.49 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 158.49 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 = 125.89 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 125.89 nM