COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137426
Chemical Name: 1-[4-(4,5-dimethoxy-2-nitrobenzyl)piperazin-1-yl]-3-methylbutan-1-one
Smiles: COc1cc(CN2CCN(CC2)C(=O)CC(C)C)c(cc1OC)[N+](=O)[O-]

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Saltdata: C2H2O4
Molecular Weight: 365.43
Empirical Formula: C18H27N3O5

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 2.504
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 2

     

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