COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565189
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(2-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: CCOc1ccccc1C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[O-]

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Molecular Weight: 438.52
Empirical Formula: C25H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.155
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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