COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051006
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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Molecular Weight: 506.56
Empirical Formula: C28H30N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.386
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 5

     

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