COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043725
Chemical Name: 1-[4-(ethoxycarbonyl)phenyl]-5-[(S)-{1-[4-(ethoxycarbonyl)phenyl]-4,6-dihydroxy-2-oxo-1,2-dihydropyrimidin-5-yl}(pyridinium-4-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCOC(=O)c1ccc(cc1)n1c(=O)nc(c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)c1ccc(cc1)C(=O)OCC)c1cc[nH+]cc1)O

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Molecular Weight: 641.59
Empirical Formula: C32H27N5O10

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 2.782
Rotatable bonds: 8
H-donors: 4
H-acceptors: 10
PSA: 212
Number of rings: 5

     

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