COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523982
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(4-hydroxy-6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]prop-2-enamide
Smiles: O=C(/C=C/c1ccc2c(c1)OCO2)NCc1c2OCOc2c(c2c1CCN(C2=O)C)O

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Molecular Weight: 424.41
Empirical Formula: C22H20N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.59
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 106
Number of rings: 5

     

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