COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131365
Chemical Name: 3-[(4-fluorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Fc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 406.44
Empirical Formula: C21H15FN4O2S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 6.843
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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