COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK393535
Chemical Name: 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
Smiles: COc1cc(/C=C/2\C(=O)OC(OC2=O)(C)C(C)(C)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 365.34
Empirical Formula: C17H19NO8

Physical State: Dry powder
Available Amount: 430 mg

Lipinsky:
logP: 2.024
Rotatable bonds: 3
H-donors: 1
H-acceptors: 8
PSA: 127
Number of rings: 2

     

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