COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432555
Chemical Name: 4-[(4Z)-4-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1cc(/C=C/2\C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)C(=O)O)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 465.34
Empirical Formula: C20H14F3N3O7

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 5.704
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 145
Number of rings: 3

     

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