COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK126399
Chemical Name: 3-(3-fluorophenyl)-5-[(3-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: Fc1cccc(c1)c1nnc(n1c1ccccc1)SCc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 406.44
Empirical Formula: C21H15FN4O2S

Physical State: Dry powder
Available Amount: 454 mg

Lipinsky:
logP: 6.813
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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