COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL354099
Chemical Name: 4-{4-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccncc1

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Molecular Weight: 403.46
Empirical Formula: C21H17N5O2S

Physical State: Dry powder
Available Amount: 628 mg

Lipinsky:
logP: 5.759
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 4

     

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