COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419026
Chemical Name: (5E)-5-(3-bromo-2-hydroxy-5-nitrobenzylidene)-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)CN1C(=S)S/C(=C/c2cc(cc(c2O)Br)[N+](=O)[O-])/C1=O

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Molecular Weight: 481.35
Empirical Formula: C18H13BrN2O5S2

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.743
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 152
Number of rings: 3

     

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