General Information of the Compound
Compound ID
CP0564632
Compound Name
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
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Structure
Formula
C19H16F2N2O5S
Molecular Weight
422.409
Canonical SMILES
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(C)(=O)=O
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InChI
InChI=1S/C19H16F2N2O5S/c1-19(11-3-6-13(7-4-11)29(2,27)28)17(25)23(18(26)22-19)10-16(24)14-8-5-12(20)9-15(14)21/h3-9H,10H2,1-2H3,(H,22,26)
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InChIKey
XWLPQMAYVLBUJX-UHFFFAOYSA-N
Physicochemical Property
logP
2.0182
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
100.62
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: 155534740
ChEMBL ID
CHEMBL4470743
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS