COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419017
Chemical Name: (5E)-5-(3-bromo-2-hydroxy-5-nitrobenzylidene)-3-(2,4-dimethylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Cc1ccc(c(c1)C)N1C(=S)S/C(=C/c2cc(cc(c2O)Br)[N+](=O)[O-])/C1=O

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Molecular Weight: 465.35
Empirical Formula: C18H13BrN2O4S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.506
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 143
Number of rings: 3

     

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