COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592895
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2cccc(c2)O)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)C

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Molecular Weight: 424.45
Empirical Formula: C23H24N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.322
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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