COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037500
Chemical Name: (4E)-4-{2-[2-(2-methylphenoxy)ethoxy]-5-nitrobenzylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C/c1cc(ccc1OCCOc1ccccc1C)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 459.46
Empirical Formula: C25H21N3O6

Physical State: Dry powder
Available Amount: 95 mg

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

     

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