compound NRA 4 [PMID: 25262941]   Click here for help

GtoPdb Ligand ID: 9010

Compound class: Synthetic organic
Comment: compound NRA 4 is a neuromedin U receptor 2 (NMUR2) agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 50.44
Molecular weight 333.96
XLogP 5.6
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F
Isomeric SMILES Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F
InChI InChI=1S/C15H8BrFO3/c16-8-5-6-11(17)10(7-8)15-14(19)13(18)9-3-1-2-4-12(9)20-15/h1-7,19H
InChI Key OGIJEXWCHFAYRS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(5-bromo-2-fluorophenyl)-3-hydroxy-4H-chromen-4-one
Database Links Click here for help
GtoPdb PubChem SID 310264788
PubChem CID 101879981
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