COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036642
Chemical Name: 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
Smiles: O=C(N1CCN(CC1)c1ccccc1)CCCn1nc(cc1C)[N+](=O)[O-]

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Molecular Weight: 357.41
Empirical Formula: C18H23N5O3

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 1.764
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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