COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL516162
Chemical Name: (2E)-3-(3-methoxyphenyl)-1-(5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)prop-2-en-1-one
Smiles: COc1cccc(c1)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCO1

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Molecular Weight: 349.39
Empirical Formula: C21H19NO4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.001
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 48
Number of rings: 4

     

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