COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079110
Chemical Name: 4-bromo-2-{[4-(2-nitrobenzyl)piperazin-1-yl]methyl}phenol
Smiles: Brc1ccc(c(c1)CN1CCN(CC1)Cc1ccccc1[N+](=O)[O-])O

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Saltdata: C2H2O4
Molecular Weight: 406.28
Empirical Formula: C18H20BrN3O3

Physical State: Dry powder
Available Amount: 234 mg

Lipinsky:
logP: 2.454
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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