Compound ID | 2994

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Compound 2

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus with wildtype dihydrofolate reductase (DHFR); dihydrofolate reductase inhibitor
Description: Synthetic compound; a propargyl-linked compound with improved activity towards DHFR mutants
Institute where first reported: Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, USA
Year first mentioned: 2012
Development status: Experimental
Chemical structure(s):
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Molecular weight: 386.49
Iso. SMILES: NC1=NC(N)=C(C#CC(C2=CC(C3=C(C)C=CC=C3C)=CC(OC)=C2)C)C(C)=N1
InChI Key: XZXVRKHUCSXVBM-UHFFFAOYSA-N
Can. SMILES: CC(C#CC1=C(N)N=C(N)N=C1C)C2=CC(=CC(=C2)OC)C3=C(C)C=CC=C3C
InChI: InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)
External links:
Citation: https://journals.asm.org/doi/10.1128/aac.06263-11

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