COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378766
Chemical Name: (4E)-4-{4-[(3-nitrobenzyl)oxy]benzylidene}-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/c1ccc(cc1)OCc1cccc(c1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 441.49
Empirical Formula: C26H23N3O4

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 5.707
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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