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Chemical structure of NVR 3-778

GC39614

NVR 3-778

Also known as 4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide

NVR 3-778 is a first-in-Class and oral bioavailable HBV CAM (capsid assembly modulator) belonging to the SBA (sulfamoylbenzamide) class, with anti-HBV activity

ChemicalCAS1445790-55-5MW432.39FormulaC18H16F4N2O4S
CAS number
1445790-55-5
Molecular weight
432.39
Formula
C18H16F4N2O4S
Solubility
DMSO ： 250 mg/mL (578·18 mM; Need ultrasonic)
InChIKey
KKMFSVNFPUPGCA-UHFFFAOYSA-N
Catalogue number
GC39614
Brand
GLPBIO
Computed properties PubChem CID 89663273 · XLogP 2.2 · TPSA 95.1 Ų · H-bond donors 2
XLogP
2.2
TPSA
95.1 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
29

SMILES C1CN(CCC1O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C(=C3)F)F)F)F

Computed descriptors from PubChem (CID 89663273), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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