General Information of the Compound
Compound ID
CP0485732
Compound Name
1-(3-fluorophenyl)-3-[3-(2-hydroxyethoxy)-4-methoxyphenyl]imidazolidin-2-one
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Structure
Formula
C18H19FN2O4
Molecular Weight
346.358
Canonical SMILES
COc1ccc(cc1OCCO)N1CCN(C1=O)c1cccc(F)c1
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InChI
InChI=1S/C18H19FN2O4/c1-24-16-6-5-15(12-17(16)25-10-9-22)21-8-7-20(18(21)23)14-4-2-3-13(19)11-14/h2-6,11-12,22H,7-10H2,1H3
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InChIKey
FUMOASGTOSVGIK-UHFFFAOYSA-N
Physicochemical Property
logP
2.652
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
62.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 44404608
ChEMBL ID
CHEMBL198192
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 > 10000 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 = 1258.93 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 = 1258.93 nM
   TI
   LI
   LO
   TS