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Chemical structure of S1R agonist 1

GC73273

S1R agonist 1

Also known as 4-benzyl-1-(2-phenoxyethyl)piperidine

S1R agonist 1 (Compound 6b) is a selective S1R agonist with Kis of 0·93 nM and 72 nM for S1R and S2R, respectively

ChemicalCAS193354-70-0MW295.42FormulaC20H25NO
CAS number
193354-70-0
Molecular weight
295.42
Formula
C20H25NO
InChIKey
HRBKFQYSVXXYDE-UHFFFAOYSA-N
Catalogue number
GC73273
Brand
GLPBIO
Computed properties PubChem CID 1328600 · XLogP 4.6 · TPSA 12.5 Ų · H-bond donors 0
XLogP
4.6
TPSA
12.5 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
22

SMILES C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=CC=C3

Computed descriptors from PubChem (CID 1328600), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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