General Information of the Compound
Compound ID
CP0071323
Compound Name
1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-(2-methoxyethoxy)phenyl)-2-imidazolidinone
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Structure
Formula
C22H29N3O6S
Molecular Weight
463.556
Canonical SMILES
COCCOc1ccc(cc1)C1CN(NS(C)(=O)=O)C(=O)N1CCc1ccc(OC)cc1
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InChI
InChI=1S/C22H29N3O6S/c1-29-14-15-31-20-10-6-18(7-11-20)21-16-25(23-32(3,27)28)22(26)24(21)13-12-17-4-8-19(30-2)9-5-17/h4-11,21,23H,12-16H2,1-3H3
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InChIKey
KASKTMSKBZKXPD-UHFFFAOYSA-N
Physicochemical Property
logP
2.206
Rotatable Bonds
11
Heavy Atom Count
32
Polar Areas
97.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 44541892
SID: 87223491
ChEMBL ID
CHEMBL571953
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 = 7450 nM
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