COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK665153
Chemical Name: 1-(2-bromo-4,5-dimethoxybenzyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolinium
Smiles: COc1cc2c(cc1OC)cc[n+](c2Cc1cc(OC)c(cc1Br)OC)CC(=O)c1ccccc1Cl

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Saltdata: Br-
Molecular Weight: 571.87
Empirical Formula: C28H26BrClNO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.207
Rotatable bonds: 9
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 4

     

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