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Chemical structure of GRL-0667

GB40222

GRL-0667

Also known as N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide

GRL-0667 (1234195-91-5) is a potent (IC50 = 320 nM) noncovalent inhibitor of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro)· GRL-0667 inhibited SARS-CoV viral replication in Vero E6 cells with no cytotoxicity (EC50 = 9·1 µM)

ChemicalCAS1234195-91-5MW416.52FormulaC26H28N2O3
CAS number
1234195-91-5
Molecular weight
416.52
Formula
C26H28N2O3
InChIKey
IVXBCFLWMPMSAP-GOSISDBHSA-N
Catalogue number
GB40222
Brand
GLPBIO
Computed properties PubChem CID 46174170 · XLogP 4.5 · TPSA 50.8 Ų · H-bond donors 1
XLogP
4.5
TPSA
50.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31

SMILES C[C@H](C1=CC=CC2=CC=CC=C21)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

Computed descriptors from PubChem (CID 46174170), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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