COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052533
Chemical Name: (4E)-4-(5-nitro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1/C=C/1\C(=O)NN(C1=O)c1ccccc1)[N+](=O)[O-]

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Molecular Weight: 485.5
Empirical Formula: C27H23N3O6

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 5.94
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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