COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431316
Chemical Name: 2-chloro-5-[(4Z)-4-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 445.82
Empirical Formula: C20H16ClN3O7

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 3.595
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 145
Number of rings: 3

     

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