COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957381
Chemical Name: 3-[(4E)-4-(3-ethoxy-4-hydroxy-2-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1c(O)ccc(c1[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1cccc(c1)C(=O)O)C

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Molecular Weight: 411.37
Empirical Formula: C20H17N3O7

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 2.881
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 145
Number of rings: 3

     

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