COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741153
Chemical Name: 1-{2-[4-(ethoxycarbonyl)-2-methyl-4-(3-methylbutyl)-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium(non-preferredname)
Smiles: CCOC(=O)C1(CCC(C)C)CC(OC1=O)(C)C(=O)C[n+]1ccccc1

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Saltdata: Br-
Molecular Weight: 362.45
Empirical Formula: C20H28NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.962
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 73
Number of rings: 2

     

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