COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419084
Chemical Name: (5E)-5-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])Sc2ccc(cc2)Cl)/S1

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Molecular Weight: 408.91
Empirical Formula: C16H9ClN2O3S3

Physical State: Dry powder
Available Amount: 186 mg

Lipinsky:
logP: 4.913
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 157
Number of rings: 3

     

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