COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037461
Chemical Name: (4E)-4-{2-[2-(4-methylphenoxy)ethoxy]-5-nitrobenzylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: Cc1ccc(cc1)OCCOc1ccc(cc1/C=C/1\C(=O)NN(C1=O)c1ccccc1)[N+](=O)[O-]

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Molecular Weight: 459.46
Empirical Formula: C25H21N3O6

Physical State: Dry powder
Available Amount: 182 mg

Lipinsky:
logP: 5.382
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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