COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150496
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 444.48
Empirical Formula: C23H28N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.824
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 105
Number of rings: 3

     

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