Name: Antibacterial agent 111
Rating: 5 (10 reviews)

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HIT ID:HIT214433876
Cas No:2448358-84-5
常用名:Antibacterial agent 111
IUPAC:2-methyl-7-phenyl-3-(pyrimidin-2-yl)-5-sulfanylidene-3H,4H,5H-imidazo[4,5-b]pyridine-6-carbonitrile
IUPAC:2-methyl-7-phenyl-3-(pyrimidin-2-yl)-5-sulfanylidene-3H,4H,5H-imidazo[4,5-b]pyridine-6-carbonitrile
InChI key:PPNUSKUUUIRZDM-UHFFFAOYSA-N

分子式:C18H12N6S
分子量:344.4
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1nc2c(-c3ccccc3)c(C#N)c(=S)[nH]c2n1-c1ncccn1
SMILES:Cc1nc2c(-c3ccccc3)c(C#N)c(=S)[nH]c2n1-c1ncccn1

Antibacterial agent 111 (Compound 3) exhibits potent antibacterial activity against B. cereus and K. pneumonia, with MIC values of 3.90 μg/mL and 0.49 μg/mL, respectively. It achieves this antibacterial effect by strongly binding to specific residues of tyrosyl-tRNA synthetase [1].

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