COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010860
Chemical Name: 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl3-nitrobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)Cc1ccccc1

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Molecular Weight: 520.59
Empirical Formula: C26H20N2O6S2

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 5.5
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 159
Number of rings: 4

     

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