COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047401
Chemical Name: (E)-{2-[3-(benzyloxy)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CCC[NH+]1CCOCC1)/c1ccc2c(c1)OCCO2

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Molecular Weight: 570.64
Empirical Formula: C33H34N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.36
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 6

     

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