COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147421
Chemical Name: (E)-1-benzofuran-2-yl{1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C

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Molecular Weight: 435.44
Empirical Formula: C23H21N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.485
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 123
Number of rings: 4

     

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