COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK145958
Chemical Name: 2-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-N-(4-ethoxybenzyl)ethanamine
Smiles: CCOc1ccc(cc1)CN(Cc1ccc(cc1)Cl)CCc1ccc2c(c1)OCO2

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Saltdata: C2H2O4
Molecular Weight: 423.94
Empirical Formula: C25H26ClNO3

Physical State: Dry powder
Available Amount: 348 mg

Lipinsky:
logP: 6.885
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 30
Number of rings: 4

     

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