COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040173
Chemical Name: (E)-{2-(3,4-diethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 498.58
Empirical Formula: C27H34N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.915
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 105
Number of rings: 4

     

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