COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070630
Chemical Name: 2-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2cc3OCOc3cc2[N+](=O)[O-])/C(=O)O1

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Molecular Weight: 363.32
Empirical Formula: C17H17NO8

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.541
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 3

     

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