COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047618
Chemical Name: 3-(4-ethoxyphenyl)-5-{[3-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: CCOc1ccc(cc1)n1c(=O)nc(c(c1[O-])C(c1c(O)[nH]c(=O)n(c1=O)c1ccc(cc1)OCC)c1ccc(c(c1)C[NH+]1CCCC1)OC)O

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Molecular Weight: 697.74
Empirical Formula: C37H39N5O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.037
Rotatable bonds: 10
H-donors: 4
H-acceptors: 9
PSA: 177
Number of rings: 6

     

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