COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172559
Chemical Name: 3-[(4Z)-4-(2-ethoxy-5-nitrobenzylidene)-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1ccc(cc1/C=C/1\C(=O)N(N=C1c1ccccc1)c1cccc(c1)C(=O)O)[N+](=O)[O-]

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Molecular Weight: 457.44
Empirical Formula: C25H19N3O6

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 4.66
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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