Compound ID | 3296

Update compound information

IIIM-019

Synonym(s): IIIM019  |  IIIM 019

Class: Nitroimidazole

Details of activity: Active against Mycobacterium tuberculosis
Description: Synthetic compound; shows no cytotoxicity (IC50) towards HepG2 cells at > 50 uM
Year first mentioned: 2016
Highest developmental phase: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 532.43
Iso. SMILES: C[C@@]1(COC2=CC=C(N3C=C(COC4=CC=C(OC(F)(F)F)C=C4)N=N3)C=C2)OC5=NC([N+]([O-])=O)=CN5C1
InChI Key: JYLNXPXYFPKIFB-JOCHJYFZSA-N
Can. SMILES: C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4C=C(COC5=CC=C(C=C5)OC(F)(F)F)N=N4
InChI: InChI=1S/C23H19F3N6O6/c1-22(13-30-11-20(32(33)34)27-21(30)38-22)14-36-18-4-2-16(3-5-18)31-10-15(28-29-31)12-35-17-6-8-19(9-7-17)37-23(24,25)26/h2-11H,12-14H2,1H3/t22-/m1/s1
External links:
Citation: https://pubmed.ncbi.nlm.nih.gov/27457685/

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