General Information of the Compound
Compound ID
CP0286250
Compound Name
1-(Methylsulfonylamino)-3-[(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-imidazolidinone
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Structure
Formula
C20H25N3O4S
Molecular Weight
403.504
Canonical SMILES
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(C)cc2)cc1
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InChI
InChI=1S/C20H25N3O4S/c1-15-4-8-17(9-5-15)19-14-23(21-28(3,25)26)20(24)22(19)13-12-16-6-10-18(27-2)11-7-16/h4-11,19,21H,12-14H2,1-3H3
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InChIKey
CFTNVBRVUMZWLO-UHFFFAOYSA-N
Physicochemical Property
logP
2.48922
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
78.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 25018000
SID: 56361657
ChEMBL ID
CHEMBL572153
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 240 nM
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