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Chemical structure of GPR35 agonist 5

GC73218

GPR35 agonist 5

Also known as 4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dinitrophenol

GPR35 agonist 5 (3,5-dinitro-bisphenol A; compound 6) is a weak GPR35 agonist

ChemicalCAS2226201-24-5MW318.28FormulaC15H14N2O6
CAS number
2226201-24-5
Molecular weight
318.28
Formula
C15H14N2O6
Solubility
DMSO ： 100 mg/mL (314·19 mM; Need ultrasonic)
InChIKey
RMOCKJKLZTYVLR-UHFFFAOYSA-N
Catalogue number
GC73218
Brand
GLPBIO
Computed properties PubChem CID 169501737 · XLogP 4.2 · TPSA 132 Ų · H-bond donors 2
XLogP
4.2
TPSA
132 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23

SMILES CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Computed descriptors from PubChem (CID 169501737), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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