COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091227
Chemical Name: 1-[4-nitro-3-(pyrrolidin-1-yl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1ccc(c(c1)N1CCCC1)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 465.43
Empirical Formula: C21H22F3N5O4

Physical State: Dry powder
Available Amount: 483 mg

Lipinsky:
logP: 7.572
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 4

     

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