COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505629
Chemical Name: (4E)-5-hydroxy-4-[2-(morpholin-4-yl)-5-nitrobenzylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OC1=NN(C(=O)/C/1=C/c1cc(ccc1N1CCOCC1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 394.39
Empirical Formula: C20H18N4O5

Physical State: Dry powder
Available Amount: 222 mg

Lipinsky:
logP: 2.945
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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