COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147351
Chemical Name: 1-{2-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}-4-(4-fluorophenyl)piperazin-1-ium
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)C[NH+]1CCN(CC1)c1ccc(cc1)F

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Saltdata: Cl-
Molecular Weight: 620.78
Empirical Formula: C36H47FN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.378
Rotatable bonds: 12
H-donors: 1
H-acceptors: 5
PSA: 64
Number of rings: 5

     

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