COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040302
Chemical Name: (E)-1-benzofuran-2-yl{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCCN1C(c2ccncc2)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 433.51
Empirical Formula: C25H27N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.45
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 90
Number of rings: 4

     

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