COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553345
Chemical Name: 5-(3-hydroxyprop-1-yn-1-yl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: OCC#CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

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

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.653
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 47
Number of rings: 3

     

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