COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528362
Chemical Name: 1-butyl-4-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-oxo-1,6-dihydropyrimidine-2-thiolate
Smiles: CCCCn1c([S-])nc(c(c1=O)C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1)O

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Molecular Weight: 419.5
Empirical Formula: C20H25N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.245
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 85
Number of rings: 4

     

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