General Information of the Compound
Compound ID
CP0436150
Compound Name
1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
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Structure
Formula
C20H24FN3O3
Molecular Weight
373.428
Canonical SMILES
COc1ccc(cc1OCCN(C)C)N1CCN(C1=O)c1cccc(F)c1
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InChI
InChI=1S/C20H24FN3O3/c1-22(2)11-12-27-19-14-17(7-8-18(19)26-3)24-10-9-23(20(24)25)16-6-4-5-15(21)13-16/h4-8,13-14H,9-12H2,1-3H3
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InChIKey
CBTNAKGKQQLTCL-UHFFFAOYSA-N
Physicochemical Property
logP
3.2213
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
45.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 10150393
SID: 15142515
ChEMBL ID
CHEMBL197170
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 = 2511.89 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 = 1584.89 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 = 3.981 nM
   TI
   LI
   LO
   TS