COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742953
Chemical Name: 5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(OC(=O)/C/1=C\c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])C(C)(C)C

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Molecular Weight: 464.27
Empirical Formula: C20H18BrNO7

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.494
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 111
Number of rings: 3

     

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