COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111381
Chemical Name: 5-(4,5-dimethoxy-2-nitrobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Smiles: COc1cc(C=C2C(=O)OC(OC2=O)(C)C)c(cc1OC)[N+](=O)[O-]

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Molecular Weight: 337.29
Empirical Formula: C15H15NO8

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 0.714
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 2

     

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