COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056643
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1cccc(c1)O)CC

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Molecular Weight: 452.51
Empirical Formula: C25H28N2O6

Physical State: Dry powder
Available Amount: 275 mg

Lipinsky:
logP: 3.385
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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