COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742051
Chemical Name: 4-[(1E)-N-(4-methylphenyl)ethanimidoyl]-2-(4-nitrophenyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)/N=C(/c1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)\C

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Molecular Weight: 412.45
Empirical Formula: C24H20N4O3

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 4.658
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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