COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416084
Chemical Name: (5E)-5-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxoimidazolidin-4-one
Smiles: Brc1ccc(c(c1)/C=C\1/N(C)C(=S)N(C1=O)C)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 462.32
Empirical Formula: C19H16BrN3O4S

Physical State: Dry powder
Available Amount: 234 mg

Lipinsky:
logP: 4.27
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 110
Number of rings: 3

     

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