COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003782
Chemical Name: 3,5-dibromo-1-{2-[4-butyl-4-(ethoxycarbonyl)-2-methyl-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium(non-preferredname)
Smiles: CCCCC1(CC(OC1=O)(C)C(=O)C[n+]1cc(Br)cc(c1)Br)C(=O)OCC

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Saltdata: Br-
Molecular Weight: 506.21
Empirical Formula: C19H24Br2NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.005
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 73
Number of rings: 2

     

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