COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036869
Chemical Name: (E)-(4-ethoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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Molecular Weight: 494.59
Empirical Formula: C28H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.364
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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