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Chemical structure of Ro-0335

GC62223

Ro-0335

Also known as 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide

RO-0335 is a novel and potent diphenylether nonnucleoside reverse transcriptase inhibitor(NNRTI)· RO-0335 inhibits Wt HIV-1 with an IC50 of 1·1 nM and retained activity (IC50＜ 100 nM) against 92% of a large number of NNRTI-resistant clinical isolates

ChemicalCAS867365-76-2MW573.22FormulaC21H13BrCl2FN3O4S
CAS number
867365-76-2
Molecular weight
573.22
Formula
C21H13BrCl2FN3O4S
Solubility
DMSO ： 250 mg/mL (436·13 mM; Need ultrasonic)
InChIKey
SBUUICLVCQQMFP-UHFFFAOYSA-N
Catalogue number
GC62223
Brand
GLPBIO
Computed properties PubChem CID 11599486 · XLogP 4.6 · TPSA 131 Ų · H-bond donors 2
XLogP
4.6
TPSA
131 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

SMILES C1=CC(=C(C=C1S(=O)(=O)N)Cl)NC(=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F

Computed descriptors from PubChem (CID 11599486), 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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