COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535306
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COc1ccc(c(c1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-])OC

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Molecular Weight: 499.56
Empirical Formula: C26H33N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.197
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 125
Number of rings: 3

     

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