COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046308
Chemical Name: [(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl](phenyl)acetate
Smiles: S=C1S/C(=C\c2ccc[nH+]c2)/C(=O)N1C(c1ccccc1)C(=O)[O-]

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Molecular Weight: 356.43
Empirical Formula: C17H12N2O3S2

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 2.478
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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