COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697042
Chemical Name: 2-{5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccn1

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Molecular Weight: 353.4
Empirical Formula: C17H15N5O2S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 4.119
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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