General Information of the Compound
Compound ID
CP0526070
Compound Name
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione
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Structure
Formula
C21H17F2N3O5
Molecular Weight
429.379
Canonical SMILES
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)N1CCOC1=O
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InChI
InChI=1S/C21H17F2N3O5/c1-21(12-2-5-14(6-3-12)25-8-9-31-20(25)30)18(28)26(19(29)24-21)11-17(27)15-7-4-13(22)10-16(15)23/h2-7,10H,8-9,11H2,1H3,(H,24,29)
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InChIKey
BXXABMBXCJDSSG-UHFFFAOYSA-N
Physicochemical Property
logP
2.5713
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
96.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 155530271
ChEMBL ID
CHEMBL4463635
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
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