General Information of the Compound
Compound ID
CP0459282
Compound Name
5-[6-(1-methylindol-5-yl)-2-oxo-1H-pyridin-3-yl]-5-propan-2-yl-1,3-oxazolidine-2,4-dione
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Structure
Formula
C20H19N3O4
Molecular Weight
365.389
Canonical SMILES
CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
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InChI
InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
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InChIKey
UFGZUAACSOMAKB-UHFFFAOYSA-N
Physicochemical Property
logP
2.6513
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
93.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 49850347
SID: 104220084
ChEMBL ID
CHEMBL2035508
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
CL000043 U2OS Homo sapiens (Human)  1
1
Ki = 6.31 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 = 7.943 nM
   TI
   LI
   LO
   TS