General Information of the Compound
Compound ID
CP0230295
Compound Name
(R)-1-(Methylsulfonylamino)-3-[3-(4-methoxyphenyl)propyl]-4-[(4-methoxy)-phenyl]-2-imidazolidinone
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Structure
Formula
C21H27N3O5S
Molecular Weight
433.53
Canonical SMILES
COc1ccc(CCCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1
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InChI
InChI=1S/C21H27N3O5S/c1-28-18-10-6-16(7-11-18)5-4-14-23-20(17-8-12-19(29-2)13-9-17)15-24(21(23)25)22-30(3,26)27/h6-13,20,22H,4-5,14-15H2,1-3H3/t20-/m0/s1
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InChIKey
CZGKLRUJJXPRFH-FQEVSTJZSA-N
Physicochemical Property
logP
2.5795
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
88.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 44542340
SID: 87223969
ChEMBL ID
CHEMBL570360
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 = 560 nM
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