COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032795
Chemical Name: (4E)-4-{3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]benzylidene}-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1ccccc1)O

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Molecular Weight: 489.48
Empirical Formula: C26H23N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.115
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 126
Number of rings: 4

     

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