COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL296660
Chemical Name: 3-bromo-1-{2-[4-(ethoxycarbonyl)-4-ethyl-2-methyl-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium(non-preferredname)
Smiles: CCOC(=O)C1(CC)CC(OC1=O)(C)C(=O)C[n+]1cccc(c1)Br

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Saltdata: Br-
Molecular Weight: 399.26
Empirical Formula: C17H21BrNO5

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: -1.691
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 73
Number of rings: 2

     

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