General Information of the Compound
Compound ID
CP0422124
Compound Name
5-(5-bromo-6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-5-propan-2-yl-1,3-oxazolidine-2,4-dione
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Structure
Formula
C21H17BrN2O4
Molecular Weight
441.281
Canonical SMILES
CC(C)C1(OC(=O)NC1=O)c1cc(Br)c([nH]c1=O)-c1ccc2ccccc2c1
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InChI
InChI=1S/C21H17BrN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-10-16(22)17(23-18(15)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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InChIKey
IOLVIEWBSVMMFT-UHFFFAOYSA-N
Physicochemical Property
logP
4.0753
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 54581785
ChEMBL ID
CHEMBL1770336
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: PT01367, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 39.81 nM
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