COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372086
Chemical Name: (5E)-3-(4-bromo-3-chlorophenyl)-5-(2-ethoxy-3,5-diiodobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1c(cc(cc1I)I)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)Cl)Br

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Molecular Weight: 706.59
Empirical Formula: C18H11BrClI2NO2S2

Physical State: Dry powder
Available Amount: 635 mg

Lipinsky:
logP: 8.214
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 86
Number of rings: 3

     

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