COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419938
Chemical Name: (4E)-4-(3-bromobenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1cccc(c1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 448.28
Empirical Formula: C22H14BrN3O3

Physical State: Dry powder
Available Amount: 225 mg

Lipinsky:
logP: 4.943
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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