COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK796651
Chemical Name: 2-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2cc(OC)c(c(c2)[N+](=O)[O-])O)/C(=O)O1

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Molecular Weight: 365.34
Empirical Formula: C17H19NO8

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.39
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 127
Number of rings: 2

     

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