General Information of the Compound
Compound ID
CP0871082
Compound Name
5-(1-(6-(8-Fluoronaphthalen-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)-2-methylpropyl)imidazolidine-2,4-dione
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Structure
Formula
C22H20FN3O3
Molecular Weight
393.418
Canonical SMILES
CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1NC(=O)NC1=O
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InChI
InChI=1S/C22H20FN3O3/c1-11(2)18(19-21(28)26-22(29)25-19)14-8-9-17(24-20(14)27)13-7-6-12-4-3-5-16(23)15(12)10-13/h3-11,18-19H,1-2H3,(H,24,27)(H2,25,26,28,29)
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InChIKey
BDABWUWFXFDEHQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2818
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
91.06
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 137478002
ChEMBL ID
CHEMBL4799069
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 = 320 nM
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