COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231645
Chemical Name: 1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}hexan-1-one
Smiles: CCCCCC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-]

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Molecular Weight: 388.51
Empirical Formula: C21H32N4O3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.566
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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