COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378607
Chemical Name: (5E)-3-(4-bromo-3-chlorophenyl)-5-(3,4-diethoxy-5-iodobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)Cl)Br)cc(c1OCC)I

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Molecular Weight: 624.75
Empirical Formula: C20H16BrClINO3S2

Physical State: Dry powder
Available Amount: 632 mg

Lipinsky:
logP: 7.549
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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