COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112316
Chemical Name: 2-{[(5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzonitrile
Smiles: CCOc1cc(/C=C/2\SC(=O)N(C2=O)Cc2ccccc2C#N)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 425.42
Empirical Formula: C20H15N3O6S

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 4.129
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 161
Number of rings: 3

     

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