COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553006
Chemical Name: 1-(4,5-dimethoxy-2-nitrobenzyl)-6,7-dimethoxyisoquinolinium
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)Cc1[nH+]ccc2c1cc(OC)c(c2)OC

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Saltdata: Cl-
Molecular Weight: 385.4
Empirical Formula: C20H21N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.941
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 3

     

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