General Information of the Compound
Compound ID
CP0378897
Compound Name
1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
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Structure
Formula
C23H27Cl2N3O3
Molecular Weight
464.393
Canonical SMILES
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C23H27Cl2N3O3/c1-30-21-8-6-18(16-22(21)31-14-13-26-9-3-2-4-10-26)28-12-11-27(23(28)29)17-5-7-19(24)20(25)15-17/h5-8,15-16H,2-4,9-14H2,1H3
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InChIKey
NHGIYDWPNQLBJG-UHFFFAOYSA-N
Physicochemical Property
logP
5.3133
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
45.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 10217207
SID: 15216246
ChEMBL ID
CHEMBL197807
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 = 630.96 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 = 316.23 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 = 0.7943 nM
   TI
   LI
   LO
   TS