COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526792
Chemical Name: 5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1cccc(c1)C(F)(F)F

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Molecular Weight: 491.42
Empirical Formula: C23H20F3N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.927
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 104
Number of rings: 5

     

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