COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564882
Chemical Name: 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-one
Smiles: COc1c2c(CCN(C2CC(=O)CCc2ccc3c(c2)OCO3)C)cc2c1OCO2

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Molecular Weight: 411.45
Empirical Formula: C23H25NO6

Physical State: Liquid
Available Amount: 10 mg

Lipinsky:
logP: 3.462
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 66
Number of rings: 5

     

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