COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186973
Chemical Name: 2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: Cn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1COc1ccccc1

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Molecular Weight: 384.42
Empirical Formula: C18H16N4O4S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 3.595
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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