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. Author manuscript; available in PMC: 2013 Apr 12.
Published in final edited form as: J Med Chem. 2012 Mar 20;55(7):3163–3169. doi: 10.1021/jm201634q

Table 1.

Experimental permeability in MDR1-MDCK cell monolayers and calculated ΔGtr and logS values for compounds 1-16.

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Compound 1 2 3 4 5
Papp
(nm/sec)		 A to B 244 106 218 196 203
B to A 296 167 310 318 364
effluxx ratio 1.2 1.6 1.4 1.6 1.8
ΔGtr 5.41 9.58 8.77 7.68 8.17
−logS 4.62 2.74 5.92 4.99 4.01
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Compound 6 7 8 9 10 11
Papp
(nm/sec)		 A to B 47.5 117 145 103 5.1 84.1
B to A 428 249 342 455 29.4 257
effluxx ratio 9.0 2.1 2.4 4.4 5.8 3.1
ΔGtr 12.6 10.1 7.82 7.97 13.0 8.17
−logS 5.27 5.96 5.46 4.97 4.03 4.04
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Compound 12 13 14 15 16
Papp
(nm/sec)		 A to B 232 239 246 177 43.1
B to A 198 192 211 200 134
effluxx ratio 0.85 0.81 0.86 1.1 3.1
ΔGtr 8.1 8.56 7.65 10.2 11.0
−logS 3.62 3.60 3.34 3.00 2.81
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