COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046844
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCOc1cccc(c1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[O-]

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Molecular Weight: 492.62
Empirical Formula: C29H36N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.381
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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