COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427792
Chemical Name: (5E)-5-(3-bromo-2-hydroxy-5-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C/c2cc(cc(c2O)Br)[N+](=O)[O-])/C1=O

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Molecular Weight: 401.26
Empirical Formula: C13H9BrN2O4S2

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 3.864
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 143
Number of rings: 2

     

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