COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562731
Chemical Name: (E)-(4-ethoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 508.61
Empirical Formula: C29H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.489
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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