COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039597
Chemical Name: (E)-1-benzofuran-2-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]

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Molecular Weight: 494.54
Empirical Formula: C27H30N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.318
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 105
Number of rings: 4

     

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