COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK211968
Chemical Name: 2-(1,3-benzodioxol-5-yl)-N-(5-bromo-2-methoxybenzyl)-N-(pyridin-3-ylmethyl)ethanamine
Smiles: COc1ccc(cc1CN(Cc1cccnc1)CCc1ccc2c(c1)OCO2)Br

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Saltdata: C2H2O4
Molecular Weight: 455.35
Empirical Formula: C23H23BrN2O3

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 5.298
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 4

     

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