COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059251
Chemical Name: 3,5-dibromo-1-[2-(2-methyl-5-oxo-4-propyltetrahydrofuran-2-yl)-2-oxoethyl]pyridinium(non-preferredname)
Smiles: CCCC1CC(OC1=O)(C)C(=O)C[n+]1cc(Br)cc(c1)Br

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Saltdata: Br-
Molecular Weight: 420.12
Empirical Formula: C15H18Br2NO3

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: -1.231
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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