General Information of the Compound
Compound ID
CP0871062
Compound Name
(Z)-5-(2-cyclohexyl-2-(6-(8-fluoronaphthalen-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)ethylidene)oxazolidine-2,4-dione
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Structure
Formula
C26H23FN2O4
Molecular Weight
446.478
Canonical SMILES
O=C1NC(=O)/C(=C/C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C2CCCCC2)O1
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InChI
InChI=1S/C26H23FN2O4/c27-21-8-4-7-16-9-10-17(13-20(16)21)22-12-11-18(24(30)28-22)19(15-5-2-1-3-6-15)14-23-25(31)29-26(32)33-23/h4,7-15,19H,1-3,5-6H2,(H,28,30)(H,29,31,32)/b23-14-
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InChIKey
RLHWDWIGTXQJCD-UCQKPKSFSA-N
Physicochemical Property
logP
5.1484
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 137477635
ChEMBL ID
CHEMBL4757179
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 = 8 nM
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