COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040124
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 398.46
Empirical Formula: C22H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.831
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 3

     

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