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. Author manuscript; available in PMC: 2009 Sep 30.
Published in final edited form as: J Comput Aided Mol Des. 2007 Mar 6;21(1-3):97–112. doi: 10.1007/s10822-007-9102-6

Table 3.

Structure and cytotoxic activity of PBTs compounds (47–52) used in model building.

Compound Structure EC50 (µM)
49 graphic file with name nihms144314t26.jpg 80
50 graphic file with name nihms144314t27.jpg 45.2
51 graphic file with name nihms144314t28.jpg 11.7
52 graphic file with name nihms144314t29.jpg 52.2
53 graphic file with name nihms144314t30.jpg 0.02
54 graphic file with name nihms144314t31.jpg 0.008