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Chemical structure of NITD-349

GC32166

NITD-349

Also known as N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide

NITD-349 is an MmpL3 inhibitor that shows highly potent anti-mycobacterial activity with MIC50 of 23 nM against virulent Mycobacterium tuberculosis H37Rv

ChemicalCAS1473450-62-2MW306.35FormulaC17H20F2N2O
CAS number
1473450-62-2
Molecular weight
306.35
Formula
C17H20F2N2O
Solubility
DMSO ： ≥ 310 mg/mL (1011·91 mM)
InChIKey
UATYSFRIVIHVKL-UHFFFAOYSA-N
Catalogue number
GC32166
Brand
GLPBIO
Computed properties PubChem CID 72711190 · XLogP 4.3 · TPSA 44.9 Ų · H-bond donors 2
XLogP
4.3
TPSA
44.9 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22

SMILES CC1(CCC(CC1)NC(=O)C2=CC3=C(N2)C=C(C=C3F)F)C

Computed descriptors from PubChem (CID 72711190), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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