COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK794694
Chemical Name: (4E)-4-[hydroxy(4-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C(\c1ccc(cc1)[N+](=O)[O-])/O)c1ccccc1

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Molecular Weight: 323.31
Empirical Formula: C17H13N3O4

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 2.068
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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