COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528389
Chemical Name: 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-oxo-1-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-2-thiolate
Smiles: COc1cc(cc(c1OC)OC)n1c([S-])nc(=O)c(c1O)C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

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Molecular Weight: 529.57
Empirical Formula: C25H27N3O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.842
Rotatable bonds: 5
H-donors: 2
H-acceptors: 8
PSA: 112
Number of rings: 5

     

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