COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507598
Chemical Name: (4Z)-2-(3,4-dimethylphenyl)-4-(3-ethoxy-4-hydroxybenzylidene)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(ccc1O)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)O

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Molecular Weight: 352.39
Empirical Formula: C20H20N2O4

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 3.864
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 82
Number of rings: 3

     

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