General Information of the Compound
Compound ID
CP0966324
Compound Name
(Z)-5-(2-(5-chloro-6-(8-fluoronaphthalen-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)-3-methylbutylidene)oxazolidine-2,4-dione
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Structure
Formula
C23H18ClFN2O4
Molecular Weight
440.858
Canonical SMILES
CC(C)C(/C=C1\OC(=O)NC1=O)c1cc(Cl)c(-c2ccc3cccc(F)c3c2)[nH]c1=O
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InChI
InChI=1S/C23H18ClFN2O4/c1-11(2)14(10-19-22(29)27-23(30)31-19)16-9-17(24)20(26-21(16)28)13-7-6-12-4-3-5-18(25)15(12)8-13/h3-11,14H,1-2H3,(H,26,28)(H,27,29,30)/b19-10-
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InChIKey
DPRRFFFURVEAMU-GRSHGNNSSA-N
Physicochemical Property
logP
4.8775
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 137478179
ChEMBL ID
CHEMBL4764526
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 = 360 nM
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