COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL495479
Chemical Name: N-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzyl}-4-chloroaniline
Smiles: COc1cc(CNc2ccc(cc2)Cl)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br

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Molecular Weight: 477.74
Empirical Formula: C21H18BrClN2O4

Physical State: Dry powder
Available Amount: 365 mg

Lipinsky:
logP: 5.724
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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