COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL513536
Chemical Name: (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Smiles: COc1c2CN(C)CCc2c(c2c1OCO2)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 396.4
Empirical Formula: C21H20N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.738
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 93
Number of rings: 4

     

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