COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553500
Chemical Name: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-(4-phenylpiperazin-1-yl)ethanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)CN1CCN(CC1)c1ccccc1

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Molecular Weight: 601.79
Empirical Formula: C36H47N3O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 7.292
Rotatable bonds: 11
H-donors: 0
H-acceptors: 5
PSA: 63
Number of rings: 5

     

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