General Information of the Compound
Compound ID
CP0501963
Compound Name
1-(3-fluorophenyl)-3-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazolidin-2-one
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Structure
Formula
C22H26FN3O4
Molecular Weight
415.465
Canonical SMILES
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1cccc(F)c1
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InChI
InChI=1S/C22H26FN3O4/c1-28-20-6-5-19(16-21(20)30-14-11-24-9-12-29-13-10-24)26-8-7-25(22(26)27)18-4-2-3-17(23)15-18/h2-6,15-16H,7-14H2,1H3
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InChIKey
FDRKHYTUOYAXAY-UHFFFAOYSA-N
Physicochemical Property
logP
2.9919
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
54.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 10194524
SID: 15190885
ChEMBL ID
CHEMBL199177
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 > 6309.57 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 = 794.33 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 = 12.59 nM
   TI
   LI
   LO
   TS