COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041398
Chemical Name: (E)-{2-(3-ethoxy-4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCOc1cc(ccc1O)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[O-]

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Molecular Weight: 503.55
Empirical Formula: C28H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.099
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 118
Number of rings: 5

     

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