General Information of the Compound
Compound ID
CP0486640
Compound Name
1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
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Structure
Formula
C23H28FN3O3
Molecular Weight
413.493
Canonical SMILES
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cccc(F)c1
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InChI
InChI=1S/C23H28FN3O3/c1-29-21-9-8-20(17-22(21)30-15-14-25-10-3-2-4-11-25)27-13-12-26(23(27)28)19-7-5-6-18(24)16-19/h5-9,16-17H,2-4,10-15H2,1H3
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InChIKey
FXGMGZCEXPQSDF-UHFFFAOYSA-N
Physicochemical Property
logP
4.1456
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
45.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 9866423
SID: 14831220
ChEMBL ID
CHEMBL198330
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 = 1995.26 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 = 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 = 1.585 nM
   TI
   LI
   LO
   TS