COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416063
Chemical Name: (4E)-5-methyl-4-[5-nitro-2-(piperidin-1-yl)benzylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1cc(ccc1N1CCCCC1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 390.44
Empirical Formula: C22H22N4O3

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 4.695
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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