COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542568
Chemical Name: 5,5'-bis[(4-nitrobenzyl)sulfanyl]-4,4'-di(prop-2-en-1-yl)-4H,4'H-3,3'-bi-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1nnc(n1CC=C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 550.62
Empirical Formula: C24H22N8O4S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.623
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 203
Number of rings: 4

     

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