COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536658
Chemical Name: 4-methoxy-6-methyl-5-[3-(4-nitrophenoxy)prop-1-yn-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCOc2ccc(cc2)[N+](=O)[O-])C)cc2c1OCO2

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Molecular Weight: 396.4
Empirical Formula: C21H20N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.07
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 85
Number of rings: 4

     

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