COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514942
Chemical Name: (2Z)-1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Smiles: COc1cc2CCN/C(=C\C(=O)c3ccc4c(c3)OCO4)/c2cc1OC

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Molecular Weight: 353.37
Empirical Formula: C20H19NO5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 2.787
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 66
Number of rings: 4

     

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