Compound ID | 2993

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Compound 1

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus with wildtype and trimethoprim resistant 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: 373.45
Iso. SMILES: NC1=NC(N)=C(C#CC(C2=CC(C3=CC=NC=C3)=CC(OC)=C2)C)C(CC)=N1
InChI Key: KEPLBUUTAQCZOE-UHFFFAOYSA-N
Can. SMILES: CCC1=NC(=NC(=C1C#CC(C)C2=CC(=CC(=C2)OC)C3=CC=NC=C3)N)N
InChI: InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)
External links:
Citation: https://journals.asm.org/doi/10.1128/aac.06263-11

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