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Chemical structure of Canocapavir

GC68825

Canocapavir

Also known as (2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one

Canocapavir (ZM-H1505R) has oral antiviral activity· Canocapavir is an HBV capsid inhibitor that can be used for research on chronic hepatitis B

ChemicalCAS2137847-19-7MW562.39FormulaC27H21BrFN5O3
CAS number
2137847-19-7
Molecular weight
562.39
Formula
C27H21BrFN5O3
Solubility
DMSO ： 300 mg/mL (533·44 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YGPZZDKSASSELG-AREMUKBSSA-N
Catalogue number
GC68825
Brand
GLPBIO
Computed properties PubChem CID 137477479 · XLogP 4 · TPSA 88.5 Ų · H-bond donors 2
XLogP
4
TPSA
88.5 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37

SMILES C1C(=O)N([C@H](O1)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)Br)CCC5=CC6=C(C=C5)NC(=O)N6

Computed descriptors from PubChem (CID 137477479), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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