COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044112
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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Molecular Weight: 452.51
Empirical Formula: C25H28N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.647
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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