COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056181
Chemical Name: (5E)-3-methyl-5-{2-[2-(2-methylphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc(ccc2OCCOc2ccccc2C)[N+](=O)[O-])/C(=O)N1C

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Molecular Weight: 430.51
Empirical Formula: C20H18N2O5S2

Physical State: Dry powder
Available Amount: 328 mg

Lipinsky:
logP: 4.077
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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