COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295116
Chemical Name: 4-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-nitrobenzoicacid
Smiles: OC(=O)c1ccc(c(c1)[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C

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Molecular Weight: 394.39
Empirical Formula: C20H18N4O5

Physical State: Dry powder
Available Amount: 467 mg

Lipinsky:
logP: 3.692
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 3

     

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