COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL369465
Chemical Name: 4-({(E)-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Smiles: C#CCOc1ccc(cc1/C=N/n1c(S)nnc1c1ccccc1)Br

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Molecular Weight: 413.3
Empirical Formula: C18H13BrN4OS

Physical State: Dry powder
Available Amount: 1011 mg

Lipinsky:
logP: 5.826
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 91
Number of rings: 3

     

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