COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157742
Chemical Name: 1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-3-methylbutan-1-one
Smiles: CC(CC(=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C

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Molecular Weight: 404.35
Empirical Formula: C16H19F3N4O5

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 5.588
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 2

     

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