COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047508
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 492.57
Empirical Formula: C28H32N2O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.08
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 4

     

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