COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525905
Chemical Name: 3-(4-ethoxyphenyl)-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCOc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1[O-])C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

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Molecular Weight: 467.48
Empirical Formula: C24H25N3O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.802
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 113
Number of rings: 5

     

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