COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL430372
Chemical Name: (4Z)-4-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 353.33
Empirical Formula: C18H15N3O5

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 3.243
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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