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Chemical structure of GPR132 antagonist 1

GC71421

GPR132 antagonist 1

Also known as 3-methyl-5-(2-phenylethylsulfamoyl)-1-benzofuran-2-carboxylic acid

GPR132 antagonist 1 (GPR132-B-160, Compound 25) is a GPR132 antagonist with an EC50 value of 0·075 μM

ChemicalCAS898211-21-7MW359.4FormulaC18H17NO5S
CAS number
898211-21-7
Molecular weight
359.4
Formula
C18H17NO5S
Solubility
DMSO ： ≥ 100 mg/mL (278·24 mM)
InChIKey
XFMCZHXUAWBOAL-UHFFFAOYSA-N
Catalogue number
GC71421
Brand
GLPBIO
Computed properties PubChem CID 4319354 · XLogP 3.5 · TPSA 105 Ų · H-bond donors 2
XLogP
3.5
TPSA
105 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25

SMILES CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C(=O)O

Computed descriptors from PubChem (CID 4319354), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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