COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870276
Chemical Name: 3,5-dinitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoate
Smiles: [O-]C(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])N1CCN(CC1)c1cccc(c1)C(F)(F)F

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Saltdata: NH4+
Molecular Weight: 439.33
Empirical Formula: C18H14F3N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.535
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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