COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043765
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 456.51
Empirical Formula: C25H29FN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.705
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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