COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594562
Chemical Name: 3-[(5Z)-5-{2-[(2-chlorobenzyl)oxy]-5-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/C1=O

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Molecular Weight: 478.93
Empirical Formula: C20H15ClN2O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.997
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 170
Number of rings: 3

     

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