COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK747991
Chemical Name: 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethanone
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)Cn1nc(cc1C)[N+](=O)[O-]

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Molecular Weight: 343.39
Empirical Formula: C17H21N5O3

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 1.607
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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