COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560787
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: COc1cccc(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: 478.59
Empirical Formula: C28H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.849
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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