COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806197
Chemical Name: (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)c2c(C)n(n(c2=O)c2ccccc2)C)c(cc1OC)[N+](=O)[O-]

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Molecular Weight: 512.57
Empirical Formula: C23H20N4O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.92
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 165
Number of rings: 4

     

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