COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK212026
Chemical Name: 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxybenzyl)-N-(2,4,5-trimethoxybenzyl)ethanamine
Smiles: CCOc1ccccc1CN(Cc1cc(OC)c(cc1OC)OC)CCc1ccc2c(c1)OCO2

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Saltdata: C2H2O4
Molecular Weight: 479.57
Empirical Formula: C28H33NO6

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 5.872
Rotatable bonds: 12
H-donors: 0
H-acceptors: 6
PSA: 58
Number of rings: 4

     

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