COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK126189
Chemical Name: 4-benzyl-3-[(4-bromobenzyl)sulfanyl]-5-(4-nitrophenyl)-4H-1,2,4-triazole
Smiles: Brc1ccc(cc1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 481.37
Empirical Formula: C22H17BrN4O2S

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 7.15
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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