COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700120
Chemical Name: 2-[(5E)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C/c2ccc(c(c2)OCC)O)/C1=O)C(=O)O

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Molecular Weight: 413.54
Empirical Formula: C17H19NO5S3

Physical State: Dry powder
Available Amount: 349 mg

Lipinsky:
logP: 2.834
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 169
Number of rings: 2

     

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