COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563481
Chemical Name: 3-carboxy-3-[(5Z)-4-oxo-5-(pyridinium-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Smiles: [O-]C(=O)CC(N1C(=S)S/C(=C\c2cc[nH+]cc2)/C1=O)C(=O)O

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Molecular Weight: 338.36
Empirical Formula: C13H10N2O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.541
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 169
Number of rings: 2

     

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