COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077466
Chemical Name: 2-ethoxy-4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl3-methyl-5-nitrobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1cc(C)cc(c1)[N+](=O)[O-])/C=C\1/SC(=S)NC1=O

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Molecular Weight: 444.49
Empirical Formula: C20H16N2O6S2

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 4.008
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 167
Number of rings: 3

     

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