COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK804085
Chemical Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Cn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 370.39
Empirical Formula: C17H14N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.783
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 120
Number of rings: 4

     

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