COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432018
Chemical Name: 3-{(4Z)-3-methyl-4-[4-(4-methylpiperazin-1-yl)-3-nitrobenzylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)C

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Molecular Weight: 449.47
Empirical Formula: C23H23N5O5

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 4.071
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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