COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821709
Chemical Name: 4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl3-nitrobenzoate
Smiles: S=C1S/C(=C\c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C(=O)N1CCc1ccccc1

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Molecular Weight: 490.56
Empirical Formula: C25H18N2O5S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 5.343
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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