COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036064
Chemical Name: (5E)-5-{2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1NC(=O)/C(=C\c2cc(ccc2OCCOc2ccc(cc2)C(C)(C)C)[N+](=O)[O-])/S1

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Molecular Weight: 458.56
Empirical Formula: C22H22N2O5S2

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 5.183
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 3

     

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