COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147026
Chemical Name: 3,5-dibromo-1-[2-(3-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridinium(non-preferredname)
Smiles: CCCCC1CC(=O)OC1(C)C(=O)C[n+]1cc(Br)cc(c1)Br

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

Physical State: Dry powder
Available Amount: 245 mg

Lipinsky:
logP: -0.699
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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