COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428124
Chemical Name: [(5Z)-5-(5-benzyl-2-hydroxy-3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C\c2cc(Cc3ccccc3)cc(c2O)[N+](=O)[O-])/C1=O

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Molecular Weight: 430.46
Empirical Formula: C19H14N2O6S2

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 4.079
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 181
Number of rings: 3

     

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