COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527614
Chemical Name: 3-(4-fluorophenyl)-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: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccc(cc1)F

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Molecular Weight: 441.42
Empirical Formula: C22H20FN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.407
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 104
Number of rings: 5

     

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