COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419095
Chemical Name: (5E)-5-(4-chloro-3-nitrobenzylidene)-3-(3,4-dimethylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(c(c2)[N+](=O)[O-])Cl)/C(=O)N1c1ccc(c(c1)C)C

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Molecular Weight: 404.9
Empirical Formula: C18H13ClN2O3S2

Physical State: Dry powder
Available Amount: 183 mg

Lipinsky:
logP: 5.594
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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