COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418775
Chemical Name: (2E,5E)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-[(2-chlorophenyl)imino]-1,3-thiazolidin-4-one
Smiles: O=C1N/C(=N\c2ccccc2Cl)/S/C/1=C/c1cc(Br)c(c(c1)[N+](=O)[O-])O

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Molecular Weight: 454.69
Empirical Formula: C16H9BrClN3O4S

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 3.656
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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