COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043338
Chemical Name: 4-{2-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}morpholin-4-ium
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[NH+]1CCOCC1

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Saltdata: Br-
Molecular Weight: 527.68
Empirical Formula: C30H43N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.282
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 70
Number of rings: 4

     

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