COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL513588
Chemical Name: 2-[(6,7-dimethoxyisoquinolinium-1-yl)methyl]-4,5-dimethoxybenzenesulfonate
Smiles: COc1cc(c(cc1OC)Cc1[nH+]ccc2c1cc(OC)c(c2)OC)S(=O)(=O)[O-]

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Molecular Weight: 419.46
Empirical Formula: C20H21NO7S

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 3.036
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 116
Number of rings: 3

     

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