COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL016479
Chemical Name: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[3-(phenylethynyl)phenyl]ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cccc(c2)C#Cc2ccccc2)C)cc2c1OCO2

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Molecular Weight: 439.51
Empirical Formula: C28H25NO4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.099
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 48
Number of rings: 5

     

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