COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418530
Chemical Name: (5E)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc(Br)c(c(c2)[N+](=O)[O-])O)/C(=O)N1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 482.29
Empirical Formula: C16H8BrN3O6S2

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 4.901
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 189
Number of rings: 3

     

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