COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK732201
Chemical Name: (4E)-4-[2-(hexyloxy)benzylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCOc1ccccc1/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 469.54
Empirical Formula: C28H27N3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.772
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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