COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528292
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C\1/C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)CC[NH+](C)C)/[O-]

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Molecular Weight: 440.5
Empirical Formula: C24H28N2O6

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 2.677
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 3

     

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