COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147485
Chemical Name: (E)-{2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)OCC)CCC[NH+](C)C)/[O-]

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Molecular Weight: 496.6
Empirical Formula: C28H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.704
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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