COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742053
Chemical Name: 4-[(1E)-N-(4-ethylphenyl)ethanimidoyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)c1[nH]n(c(=O)c1/C(=N/c1ccc(cc1)CC)/C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 456.5
Empirical Formula: C26H24N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.134
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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