COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147004
Chemical Name: 3-bromo-1-{2-[2-methyl-4-(3-methylbutyl)-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium(non-preferredname)
Smiles: CC(CCC1CC(OC1=O)(C)C(=O)C[n+]1cccc(c1)Br)C

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Saltdata: Cl-
Molecular Weight: 369.28
Empirical Formula: C17H23BrNO3

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: -0.986
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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