COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548124
Chemical Name: 3-(2,5-dimethoxyphenyl)-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: COc1ccc(c(c1)n1c(=O)nc(c(c1[O-])C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1)O)OC

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Molecular Weight: 483.48
Empirical Formula: C24H25N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.246
Rotatable bonds: 5
H-donors: 2
H-acceptors: 8
PSA: 126
Number of rings: 5

     

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