COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130324
Chemical Name: 3-methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one
Smiles: CC(CC(=O)N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-])C

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Saltdata: C2H2O4
Molecular Weight: 305.38
Empirical Formula: C16H23N3O3

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 2.296
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 69
Number of rings: 2

     

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