COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057393
Chemical Name: 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-(2-oxo-2-phenylethyl)isoquinolinium
Smiles: COc1cc2c(cc1OC)cc[n+](c2Cc1ccc(c(c1)OC)OC)CC(=O)c1ccccc1

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Saltdata: Br-
Molecular Weight: 458.53
Empirical Formula: C28H28NO5

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 0.63
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 4

     

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