COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059120
Chemical Name: 3,5-dibromo-1-[2-(2-butyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridinium
Smiles: CCCCC1(CCC(=O)O1)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: 300 mg

Lipinsky:
logP: -1.192
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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