COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523576
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(4-methoxy-6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]prop-2-enamide
Smiles: COc1c2C(=O)N(C)CCc2c(c2c1OCO2)CNC(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 438.44
Empirical Formula: C23H22N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.324
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 95
Number of rings: 5

     

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