COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK812887
Chemical Name: 2-[(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonicacid
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)CCS(=O)(=O)O)cc(c1O)Br

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Molecular Weight: 454.34
Empirical Formula: C13H12BrNO6S3

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 0.467
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 169
Number of rings: 2

     

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