COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428122
Chemical Name: [(5Z)-5-(3-bromo-2-hydroxy-5-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C\c2cc(cc(c2O)Br)[N+](=O)[O-])/C1=O

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Molecular Weight: 419.23
Empirical Formula: C12H7BrN2O6S2

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 2.805
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 181
Number of rings: 2

     

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