General Information of the Compound
Compound ID
CP0442145
Compound Name
1-(3,4-dichlorophenyl)-3-[6-(2-piperidin-1-ylethoxy)pyridin-3-yl]imidazolidin-2-one
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Structure
Formula
C21H24Cl2N4O2
Molecular Weight
435.355
Canonical SMILES
Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCCN2CCCCC2)nc1
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InChI
InChI=1S/C21H24Cl2N4O2/c22-18-6-4-16(14-19(18)23)26-10-11-27(21(26)28)17-5-7-20(24-15-17)29-13-12-25-8-2-1-3-9-25/h4-7,14-15H,1-3,8-13H2
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InChIKey
KLQQLINXJPIDFI-UHFFFAOYSA-N
Physicochemical Property
logP
4.6997
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
48.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 10151289
SID: 15143421
ChEMBL ID
CHEMBL371211
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 = 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 158.49 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 = 25.12 nM
   TI
   LI
   LO
   TS