COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036049
Chemical Name: (5E)-5-(3,4-dihydroxybenzylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C/c3ccc(c(c3)O)O)/C2=O)ccc1OC

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Molecular Weight: 417.51
Empirical Formula: C20H19NO5S2

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 2.809
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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