COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526967
Chemical Name: (3E)-4-(furan-2-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
Smiles: COc1c2c(CCN(C2CC(=O)/C=C/c2ccco2)C)cc2c1OCO2

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Molecular Weight: 355.39
Empirical Formula: C20H21NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.723
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 61
Number of rings: 4

     

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