COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147490
Chemical Name: 3-methyl-2-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CC(C(N1C(=S)S/C(=C\c2cccc[nH+]2)/C1=O)C(=O)[O-])C

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Molecular Weight: 322.41
Empirical Formula: C14H14N2O3S2

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 1.54
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 2

     

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