COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044272
Chemical Name: (E)-(1-[2-(dimethylammonio)ethyl]-2-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-4,5-dioxopyrrolidin-3-ylidene)(furan-2-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccco2)/[O-])/C1c1ccc(cc1)OCCOc1ccccc1C)C

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Molecular Weight: 490.56
Empirical Formula: C28H30N2O6

Physical State: Dry powder
Available Amount: 282 mg

Lipinsky:
logP: 4.976
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 4

     

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