COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507672
Chemical Name: (4Z)-2-(3,4-dimethylphenyl)-5-hydroxy-4-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C)C)O)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 383.36
Empirical Formula: C19H17N3O6

Physical State: Dry powder
Available Amount: 237 mg

Lipinsky:
logP: 4.034
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 128
Number of rings: 3

     

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