COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552913
Chemical Name: [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](5-nitrofuran-2-yl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1ccc(o1)[N+](=O)[O-]

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Molecular Weight: 538.6
Empirical Formula: C29H34N2O8

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.558
Rotatable bonds: 11
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 4

     

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