COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686112
Chemical Name: (4E)-5-[(2-chloro-5-nitrophenyl)amino]-4-(4-hydroxybenzylidene)-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Oc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 538.17
Empirical Formula: C22H12Cl4N4O4

Available Amount: 0 mg

Lipinsky:
logP: 7.124
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 4

     

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