COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047420
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(furan-2-yl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)OC

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Molecular Weight: 414.46
Empirical Formula: C22H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.93
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 3

     

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