COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057648
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-ethoxy-4-propoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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Molecular Weight: 552.62
Empirical Formula: C30H36N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.996
Rotatable bonds: 10
H-donors: 1
H-acceptors: 8
PSA: 111
Number of rings: 5

     

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