COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150228
Chemical Name: (E)-1-benzofuran-2-yl{1-[2-(diethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1ccc(cc1)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]

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Molecular Weight: 462.55
Empirical Formula: C27H30N2O5

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: 5.264
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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