COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484727
Chemical Name: 4-bromo-N-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}aniline
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])CNc1ccc(cc1)Br

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Molecular Weight: 457.32
Empirical Formula: C22H21BrN2O4

Physical State: Dry powder
Available Amount: 757 mg

Lipinsky:
logP: 5.95
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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