COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143111
Chemical Name: 4-[(1E)-N-(4-ethoxyphenyl)ethanimidoyl]-2-(4-nitrophenyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCOc1ccc(cc1)/N=C(/c1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)\C

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Molecular Weight: 442.47
Empirical Formula: C25H22N4O4

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.548
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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