COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL025576
Chemical Name: 3-[(5Z)-5-{2-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 444.49
Empirical Formula: C20H16N2O6S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.065
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 170
Number of rings: 3

     

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