COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568007
Chemical Name: 2-{5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1nccnc1

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Molecular Weight: 354.39
Empirical Formula: C16H14N6O2S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 3.531
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 127
Number of rings: 3

     

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