COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045597
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccccc1C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 438.48
Empirical Formula: C24H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.974
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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