COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149868
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: COc1c(OC)cccc1C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(o1)C)/[O-]

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Molecular Weight: 456.54
Empirical Formula: C25H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.309
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 3

     

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