COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK727666
Chemical Name: 4-(4-methoxyphenyl)-3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1

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Molecular Weight: 418.48
Empirical Formula: C22H18N4O3S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 6.476
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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