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Chemical structure of S1R agonist 2

GC71103

S1R agonist 2

Also known as 4-benzyl-1-(3-phenoxypropyl)piperidine

S1R agonist 2 (Compound 8b) is a selective S1R agonist with Kis of 1·1 nM and 88 nM for S1R and S2R, respectively

ChemicalCAS150085-21-5MW309.45FormulaC21H27NO
CAS number
150085-21-5
Molecular weight
309.45
Formula
C21H27NO
InChIKey
KOYQYIAABUPJFF-UHFFFAOYSA-N
Catalogue number
GC71103
Brand
GLPBIO
Computed properties PubChem CID 15895336 · XLogP 5 · TPSA 12.5 Ų · H-bond donors 0
XLogP
5
TPSA
12.5 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
23

SMILES C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC=C3

Computed descriptors from PubChem (CID 15895336), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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