COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050844
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: COc1cc(ccc1O)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 496.56
Empirical Formula: C27H32N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.214
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 112
Number of rings: 4

     

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