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Chemical structure of Antituberculosis agent-5

GC66027

Antituberculosis agent-5

Also known as N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide

Antituberculosis agent-5 (compound 52) is a nitrofuranylamide derivative, inhibits M· tuberculosis UDP-Gal mutase· Antituberculosis agent-5 inhibits Glf activity with an IC50 value of 99 μM/mL and resists tuberculosis (TB) with a MIC value of 1·6 μg/mL

ChemicalCAS313981-44-1MW276.24FormulaC13H12N2O5
CAS number
313981-44-1
Molecular weight
276.24
Formula
C13H12N2O5
InChIKey
VZQIZHBNJHJIOR-UHFFFAOYSA-N
Catalogue number
GC66027
Brand
GLPBIO
Computed properties PubChem CID 779741 · XLogP 2.2 · TPSA 97.3 Ų · H-bond donors 1
XLogP
2.2
TPSA
97.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

SMILES COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)[N+](=O)[O-]

Computed descriptors from PubChem (CID 779741), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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