COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043925
Chemical Name: (E)-1-benzofuran-2-yl{2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Fc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]

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Molecular Weight: 445.45
Empirical Formula: C25H20FN3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.659
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 5

     

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