COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK213716
Chemical Name: 3-butyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: CCCCc1nnc([nH]1)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 292.36
Empirical Formula: C13H16N4O2S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 3.019
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 112
Number of rings: 2

     

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