COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052723
Chemical Name: 3,5-dibromo-1-{2-[4-(3-methylbutyl)-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium(non-preferredname)
Smiles: CC(CCC1CC(OC1=O)C(=O)C[n+]1cc(Br)cc(c1)Br)C

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Saltdata: Br-
Molecular Weight: 434.15
Empirical Formula: C16H20Br2NO3

Available Amount: 0 mg

Lipinsky:
logP: -0.893
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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