COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK347315
Chemical Name: 3-methyl-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-one
Smiles: CC(CC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C

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Molecular Weight: 359.35
Empirical Formula: C16H20F3N3O3

Physical State: Dry powder
Available Amount: 186 mg

Lipinsky:
logP: 4.62
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 69
Number of rings: 2

     

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