General Information of the Compound
Compound ID
CP0486642
Compound Name
1-(3,4-dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]imidazolidin-2-one
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Structure
Formula
C20H23Cl2N3O3
Molecular Weight
424.328
Canonical SMILES
COc1ccc(cc1OCCN(C)C)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C20H23Cl2N3O3/c1-23(2)10-11-28-19-13-15(5-7-18(19)27-3)25-9-8-24(20(25)26)14-4-6-16(21)17(22)12-14/h4-7,12-13H,8-11H2,1-3H3
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InChIKey
FZJNUBRRMWUZTE-UHFFFAOYSA-N
Physicochemical Property
logP
4.389
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
45.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 10287912
SID: 15293874
ChEMBL ID
CHEMBL196953
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 501.19 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.259 nM
   TI
   LI
   LO
   TS