General Information of the Compound
Compound ID
CP0875714
Compound Name
5-[6-(2-naphthalenyl)-2-oxo-1,2-dihydro-3-pyridinyl]-1,3-oxazolidine-2,4-dione
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Structure
Formula
C18H12N2O4
Molecular Weight
320.304
Canonical SMILES
O=C1NC(=O)C(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)O1
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InChI
InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,15H,(H,19,21)(H,20,22,23)
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InChIKey
ULLMPWRVQAIRRY-UHFFFAOYSA-N
Physicochemical Property
logP
2.5026
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 70681702
ChEMBL ID
CHEMBL2035507
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: PT01205, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
Ki > 5011.87 nM
   TI
   LI
   LO
   TS
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
Ki = 199.53 nM
   TI
   LI
   LO
   TS
Protein ID: PT03555, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
Ki = 316.23 nM
   TI
   LI
   LO
   TS