COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807024
Chemical Name: 3,3'-ethane-1,2-diylbis{5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole}
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)CCc1nnc(n1c1ccccc1)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 650.74
Empirical Formula: C32H26N8O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.834
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 203
Number of rings: 6

     

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