COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011483
Chemical Name: 2-tert-butyl-2-methyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(OC(=O)/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])C(C)(C)C

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Molecular Weight: 385.37
Empirical Formula: C20H19NO7

Physical State: Dry powder
Available Amount: 723 mg

Lipinsky:
logP: 3.034
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 111
Number of rings: 3

     

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