COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK963038
Chemical Name: (4E)-2-(3,4-dichlorophenyl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)-3-nitrobenzylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C

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Molecular Weight: 474.35
Empirical Formula: C22H21Cl2N5O3

Available Amount: 0 mg

Lipinsky:
logP: 5.459
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 84
Number of rings: 4

     

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