COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431769
Chemical Name: 2-chloro-5-[(4Z)-4-(4-methoxy-3-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

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Molecular Weight: 415.79
Empirical Formula: C19H14ClN3O6

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 2.846
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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