COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL008966
Chemical Name: (2E)-3-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one
Smiles: COc1c(/C=C/C(=O)N2CCCCC2)c(O)c(c2c1cco2)OC

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Molecular Weight: 331.37
Empirical Formula: C18H21NO5

Available Amount: 0 mg

Lipinsky:
logP: 2.977
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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