COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564941
Chemical Name: 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione
Smiles: COc1c2c(CCN(C2C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C)cc2c1OCO2

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Molecular Weight: 427.3
Empirical Formula: C17H15F6NO5

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: 7.136
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 65
Number of rings: 3

     

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