COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK145495
Chemical Name: 2-(1,3-benzodioxol-5-yl)-N-(4,5-dimethoxy-2-nitrobenzyl)ethanamine
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)CNCCc1ccc2c(c1)OCO2

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Saltdata: C2H2O4
Molecular Weight: 360.37
Empirical Formula: C18H20N2O6

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 3.375
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 94
Number of rings: 3

     

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