COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807236
Chemical Name: 3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2

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Molecular Weight: 462.49
Empirical Formula: C23H18N4O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.849
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 5

     

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