COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051274
Chemical Name: 1-[4-nitro-3-(piperidin-1-yl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 479.46
Empirical Formula: C22H24F3N5O4

Physical State: Dry powder
Available Amount: 474 mg

Lipinsky:
logP: 8.136
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 4

     

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