COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL388200
Chemical Name: (4Z)-2-(3-chloro-4-fluorophenyl)-4-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)Cl)F)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 419.8
Empirical Formula: C19H15ClFN3O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.531
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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