COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148544
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: CCOc1ccc(cc1OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[O-]

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Molecular Weight: 482.58
Empirical Formula: C27H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.101
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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