COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035955
Chemical Name: (5E)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(3,4-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)N1CCCCCC1

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Molecular Weight: 420.55
Empirical Formula: C20H24N2O4S2

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 3.083
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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