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Chemical structure of GPR52 agonist-1

GC75342

GPR52 agonist-1

Also known as 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide

GPR52 agonist-1 is a potent, orally active and blood-brain barrier (BBB) penetrant GPR52 agonist with an pEC50 value of 7·53

ChemicalCAS1207965-40-9MW453.96FormulaC25H21ClFNO2S
CAS number
1207965-40-9
Molecular weight
453.96
Formula
C25H21ClFNO2S
Solubility
DMSO： ≥ 100 mg/mL (220·28 mM)
InChIKey
YNXYTOJEFCKHEM-UHFFFAOYSA-N
Catalogue number
GC75342
Brand
GLPBIO
Computed properties PubChem CID 59193920 · XLogP 6.4 · TPSA 66.6 Ų · H-bond donors 1
XLogP
6.4
TPSA
66.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31

SMILES COCCNC(=O)C1=CC=CC(=C1)C2=CC=CC3=C2SC(=C3)CC4=CC(=CC(=C4)Cl)F

Computed descriptors from PubChem (CID 59193920), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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