COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994792
Chemical Name: 3-methyl-2-[(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CC(C(N1C(=S)S/C(=C/c2cccc(c2)[N+](=O)[O-])/C1=O)C(=O)O)C

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Molecular Weight: 366.42
Empirical Formula: C15H14N2O5S2

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 2.802
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 2

     

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