COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331956
Chemical Name: methyl3-{(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoate
Smiles: COC(=O)CCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OCc2ccccc2)/C1=O

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Molecular Weight: 443.54
Empirical Formula: C22H21NO5S2

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 3.619
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 3

     

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