General Information of the Compound
Compound ID
CP0230294
Compound Name
(S)-1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxy-phenyl)-2-imidazolidinone
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Structure
Formula
C20H25N3O5S
Molecular Weight
419.503
Canonical SMILES
COc1ccc(CCN2[C@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1
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InChI
InChI=1S/C20H25N3O5S/c1-27-17-8-4-15(5-9-17)12-13-22-19(16-6-10-18(28-2)11-7-16)14-23(20(22)24)21-29(3,25)26/h4-11,19,21H,12-14H2,1-3H3/t19-/m1/s1
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InChIKey
GFFIHDXPUGXVGG-LJQANCHMSA-N
Physicochemical Property
logP
2.1894
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
88.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 25019018
SID: 56362739
ChEMBL ID
CHEMBL569184
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 = 330 nM
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