COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151543
Chemical Name: 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-[2-oxo-2-(piperidin-1-yl)ethyl]isoquinolinium
Smiles: COc1cc2c(cc1OC)cc[n+](c2Cc1ccc(c(c1)OC)OC)CC(=O)N1CCCCC1

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Saltdata: Cl-
Molecular Weight: 465.57
Empirical Formula: C27H33N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.084
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 61
Number of rings: 4

     

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