COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK777026
Chemical Name: 1-{4-[4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Smiles: CC1CCCCN1c1cc(N2CCN(CC2)C(=O)C(C)(C)C)c(cc1F)[N+](=O)[O-]

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Molecular Weight: 406.5
Empirical Formula: C21H31FN4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.457
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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