COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428699
Chemical Name: (5E)-3-benzyl-5-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C#CCOc1c(Br)cc(cc1OCC)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1

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Molecular Weight: 488.43
Empirical Formula: C22H18BrNO3S2

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 4.847
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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