General Information of the Compound
Compound ID
CP0151086
Compound Name
1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone
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Structure
Formula
C21H27N3O4S
Molecular Weight
417.531
Canonical SMILES
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(C)c(C)c2)cc1
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InChI
InChI=1S/C21H27N3O4S/c1-15-5-8-18(13-16(15)2)20-14-24(22-29(4,26)27)21(25)23(20)12-11-17-6-9-19(28-3)10-7-17/h5-10,13,20,22H,11-12,14H2,1-4H3
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InChIKey
JFTNAHZEOMLTPQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.79764
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
78.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 25019019
SID: 56362740
ChEMBL ID
CHEMBL585163
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 = 610 nM
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