General Information of the Compound
Compound ID
CP0302707
Compound Name
1-[(Methylsulfonyl)amino]-3-[(4-methoxyphenyl)ethyl]-4-(4-cyclopropylphenyl)-2-imidazolidinone
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Structure
Formula
C22H27N3O4S
Molecular Weight
429.542
Canonical SMILES
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(cc2)C2CC2)cc1
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InChI
InChI=1S/C22H27N3O4S/c1-29-20-11-3-16(4-12-20)13-14-24-21(15-25(22(24)26)23-30(2,27)28)19-9-7-18(8-10-19)17-5-6-17/h3-4,7-12,17,21,23H,5-6,13-15H2,1-2H3
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InChIKey
DGHURJYXAQLSSM-UHFFFAOYSA-N
Physicochemical Property
logP
3.0582
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
78.95
Hydrogen Bond Donor Count
1
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: 25018252
SID: 56361923
ChEMBL ID
CHEMBL583254
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 = 160 nM
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