COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527492
Chemical Name: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-(diethylamino)ethanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)CN(CC)CC

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Molecular Weight: 512.69
Empirical Formula: C30H44N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.4
Rotatable bonds: 13
H-donors: 0
H-acceptors: 5
PSA: 60
Number of rings: 3

     

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