COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052431
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 494.54
Empirical Formula: C27H30N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.112
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 5

     

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