COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507623
Chemical Name: (4Z)-2-(3-chloro-4-methylphenyl)-5-hydroxy-4-[4-(4-methylpiperidin-1-yl)-3-nitrobenzylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)C)O

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Molecular Weight: 454.91
Empirical Formula: C23H23ClN4O4

Physical State: Dry powder
Available Amount: 359 mg

Lipinsky:
logP: 6.991
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 101
Number of rings: 4

     

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