COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528600
Chemical Name: 4-acetyl-5-(4-hydroxy-3-methoxyphenyl)-2-oxo-1-(pyridinium-3-ylmethyl)-2,5-dihydro-1H-pyrrol-3-olate
Smiles: COc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=C1C(=O)C)[O-]

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Molecular Weight: 354.36
Empirical Formula: C19H18N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.228
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 3

     

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