COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684842
Chemical Name: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2,2,2-trifluoroethanone
Smiles: CCOc1cc(ccc1OCC)CC1c2cc(OCC)c(cc2CCN1C(=O)C(F)(F)F)OCC

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Molecular Weight: 495.54
Empirical Formula: C26H32F3NO5

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 6.932
Rotatable bonds: 10
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 3

     

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