COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757197
Chemical Name: N-[(4E)-4-(4-hydroxybenzylidene)-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-nitrobenzamide
Smiles: Oc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 531.74
Empirical Formula: C23H13Cl3N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.699
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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