COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673327
Chemical Name: 4-{(E)-[(4-fluorobenzyl)imino]methyl}-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Fc1ccc(cc1)C/N=C/c1c(=O)n([nH]c1C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 408.31
Empirical Formula: C18H12F4N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.403
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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