COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK194881
Chemical Name: 2,6-dimethoxy-4-{[4-(2-nitrobenzyl)piperazin-1-yl]methyl}phenol
Smiles: COc1cc(CN2CCN(CC2)Cc2ccccc2[N+](=O)[O-])cc(c1O)OC

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Saltdata: C2H2O4
Molecular Weight: 387.44
Empirical Formula: C20H25N3O5

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 0.736
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 90
Number of rings: 3

     

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