COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980134
Chemical Name: (4Z)-4-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-5-methyl-2-(naphthalen-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc3c(c2)cccc3)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 417.42
Empirical Formula: C23H19N3O5

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.005
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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