COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375394
Chemical Name: 3-benzyl-4-(4-fluorophenyl)-5-[(3-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Fc1ccc(cc1)n1c(nnc1Cc1ccccc1)SCc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 420.47
Empirical Formula: C22H17FN4O2S

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 6.199
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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