COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040261
Chemical Name: (E)-[4-(benzyloxy)-3-methylphenyl][2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[O-]

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Molecular Weight: 550.61
Empirical Formula: C33H30N2O6

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.957
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 5

     

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