COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357448
Chemical Name: 5-methyl-4-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CN1CCN(CC1)/N=C/c1c(C)[nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 344.37
Empirical Formula: C16H20N6O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.157
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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