COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272141
Chemical Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(3-nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1nc(n(c1=S)Cc1ccccc1)COc1ccccc1

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Molecular Weight: 460.51
Empirical Formula: C24H20N4O4S

Available Amount: 0 mg

Lipinsky:
logP: 3.317
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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