This URL links to the dataset on QSAR world
Compounds and their property with respect to crossing of the "Blood-Brain Barrier" (BBB) have been given in the paper.
In all 80 compounds with their BBB permabilty have been given in the files provided here. 45 "Cross" the BBB while 35 "Do Not Cross" the BBB
H. Nowell, J. P. Attfield and J. C. Cole.
The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base, Acta Cryst. (2002). B58, 835-840Â Â Â Â
Thi Bao Chau Vu, Ivo Kalkman, W. Leo Meerts, Christian Brand, Yuriy N. Svartsov, Sascha Wiedemann, Rainer Weinkauf and Michael Schmitt.
The conformational landscape of 5-methoxytryptamine studied by rotationally resolved fluorescence spectroscopy and resonant ionization spectroscopy, Phys. Chem. Chem. Phys., 2009, 11, 2433.
Paul E. Reyes-Gutiérrez, Rubén O. Torres-Ochoa, Roberto Martínez and Luis D. Miranda.
Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine, Org. Biomol. Chem., 2009, 7, 1388.