COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553035
Chemical Name: 5-(4-hydroxybut-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: OCCC#CC1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

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Saltdata: Cl-
Molecular Weight: 290.34
Empirical Formula: C16H20NO4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 1.753
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 52
Number of rings: 3

     

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