COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117438
Chemical Name: 2-tert-butyl-2-methyl-5-[3-nitro-4-(piperidin-1-yl)benzylidene]-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(OC(=O)/C/1=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)C(C)(C)C

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Molecular Weight: 402.45
Empirical Formula: C21H26N2O6

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.354
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 101
Number of rings: 3

     

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