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Chemical structure of Ro 64-6198

GC38842

Ro 64-6198

Also known as 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Ro 64-6198 is a potent, selective, nonpeptide, high-affinity, high cellular permeability and brain penetration N/OFQ receptor (NOP) agonist with an EC50 value of 25·6 nM

ChemicalCAS280783-56-4MW401.54FormulaC26H31N3O
CAS number
280783-56-4
Molecular weight
401.54
Formula
C26H31N3O
Solubility
DMSO ： 50 mg/mL (124·52 mM; Need ultrasonic)
InChIKey
JLFMYEAXZNPWBK-REWPJTCUSA-N
Catalogue number
GC38842
Brand
GLPBIO
Computed properties PubChem CID 9844019 · XLogP 4.8 · TPSA 35.6 Ų · H-bond donors 1
XLogP
4.8
TPSA
35.6 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
30

SMILES C1C[C@H]2CC[C@@H](C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6

Computed descriptors from PubChem (CID 9844019), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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