COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK287626
Chemical Name: N-[(5E)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)NC(=O)c2ccccc2)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 431.45
Empirical Formula: C18H13N3O6S2

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 3.823
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 182
Number of rings: 3

     

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