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Chemical structure of PT-91

GC74020

PT-91

Also known as 2-methoxy-N-[4-(phenylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide

PT-91 is an agonist of GPR27

ChemicalCAS3037561-48-8MW450.43FormulaC21H17F3N2O4S
CAS number
3037561-48-8
Molecular weight
450.43
Formula
C21H17F3N2O4S
Solubility
DMSO : ≥ 100 mg/mL (222·01 mM)
InChIKey
MLOMHLBCHRLHLM-UHFFFAOYSA-N
Catalogue number
GC74020
Brand
GLPBIO
Computed properties PubChem CID 169494250 · XLogP 4.1 · TPSA 92.9 Ų · H-bond donors 2
XLogP
4.1
TPSA
92.9 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

SMILES COC1=C(C=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

Computed descriptors from PubChem (CID 169494250), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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