General Information of the Compound
Compound ID
CP0957899
Compound Name
(Z)-5-(2-(6-(8-Fluoronaphthalen-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)-3-methylbutylidene)imidazolidine-2,4-dione
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Formula
C23H20FN3O3
Molecular Weight
405.429
Canonical SMILES
CC(C)C(/C=C1\NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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InChI
InChI=1S/C23H20FN3O3/c1-12(2)16(11-20-22(29)27-23(30)26-20)15-8-9-19(25-21(15)28)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-12,16H,1-2H3,(H,25,28)(H2,26,27,29,30)/b20-11-
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InChIKey
YIOOYTASCMSTFZ-JAIQZWGSSA-N
Physicochemical Property
logP
3.7971
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
91.06
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
30

"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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ChEMBL ID
CHEMBL4793698
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 = 87 nM
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