COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428769
Chemical Name: [(5E)-5-(4-{[2-(acetyloxy)ethyl]sulfanyl}-3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: CC(=O)OCCSc1ccc(cc1[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=O)O

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Molecular Weight: 442.49
Empirical Formula: C16H14N2O7S3

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 2.292
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 212
Number of rings: 2

     

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