COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428289
Chemical Name: (5Z)-3-benzyl-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(cc(c1O)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 402.45
Empirical Formula: C18H14N2O5S2

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 4.044
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 152
Number of rings: 3

     

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