COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051188
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: COc1cccc(c1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 480.56
Empirical Formula: C27H32N2O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.161
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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