COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000758
Chemical Name: (5E)-3-ethyl-5-{2-[2-(2-methylphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)S/C(=C/c2cc(ccc2OCCOc2ccccc2C)[N+](=O)[O-])/C1=O

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Molecular Weight: 444.53
Empirical Formula: C21H20N2O5S2

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 4.608
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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