General Information of the Compound
Compound ID
CP0556954
Compound Name
(5Z)-5-[2-ethyl-2-[6-(8-ethylnaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]butylidene]-1,3-oxazolidine-2,4-dione
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Structure
Formula
C26H26N2O4
Molecular Weight
430.504
Canonical SMILES
CCc1cccc2ccc(cc12)-c1ccc(c(=O)[nH]1)C(CC)(CC)\C=C1/OC(=O)NC1=O
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InChI
InChI=1S/C26H26N2O4/c1-4-16-8-7-9-17-10-11-18(14-19(16)17)21-13-12-20(23(29)27-21)26(5-2,6-3)15-22-24(30)28-25(31)32-22/h7-15H,4-6H2,1-3H3,(H,27,29)(H,28,30,31)/b22-15-
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InChIKey
RARDFVAVOTXECL-JCMHNJIXSA-N
Physicochemical Property
logP
4.9656
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 137487333
ChEMBL ID
CHEMBL4786317
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
IC50 = 91 nM
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