Compound ID | 3626

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MAC13243

Synonym(s): MAC-13243  |  MAC 13243

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-negative
Description: Synthetic compound; analogues with improved activity reported; shows no cytotoxicity towards HeLa cells at ≥16-64x MIC
Institute where first reported: McMaster University
Year first mentioned: 2009
Development status: Experimental
Chemical structure(s):
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Molecular weight: 442.4
Iso. SMILES: COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=C(C=C3)Cl)OC.Cl
InChI Key: VCJIDISBDZWDOJ-UHFFFAOYSA-N
Can. SMILES: COC1=CC=C(CCN2CNC(=NC2)SCC3=CC=C(C=C3)Cl)C=C1OC.Cl
InChI: InChI=1S/C20H24ClN3O2S.ClH/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16;/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23);1H
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/2806781
Citation: https://www.nature.com/articles/nchembio.221#Ack1

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