COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379652
Chemical Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc3c(c2)OCO3)c(cc1O)Br

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Molecular Weight: 480.36
Empirical Formula: C19H14BrNO5S2

Physical State: Dry powder
Available Amount: 802 mg

Lipinsky:
logP: 5.486
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 4

     

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