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Chemical structure of GPR30 agonist-1

GC61817

GPR30 agonist-1

Also known as (3aS,4R,9bR)-4-(5-bromo-2-methoxyphenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

GPR30 agonist-1 is a G protein-coupled receptor 30 (GPR30) agonist

ChemicalCAS415919-74-3MW374.25FormulaC19H17BrFNO
CAS number
415919-74-3
Molecular weight
374.25
Formula
C19H17BrFNO
Solubility
DMSO ： 50 mg/mL (133·60 mM; ultrasonic and warming and heat to 80°C)
InChIKey
YGLAUQAYNBUDIJ-BIENJYKASA-N
Catalogue number
GC61817
Brand
GLPBIO
Computed properties PubChem CID 1131343 · XLogP 5.1 · TPSA 21.3 Ų · H-bond donors 1
XLogP
5.1
TPSA
21.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23

SMILES COC1=C(C=C(C=C1)Br)[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)F

Computed descriptors from PubChem (CID 1131343), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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