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. Author manuscript; available in PMC: 2017 May 10.
Published in final edited form as: Chemistry. 2016 Apr 1;22(20):6921–6931. doi: 10.1002/chem.201504955

Table 1.

List of cores with varying distance and angles

graphic file with name nihms800387t1.jpg
Compound Structure Distance[a,b] Angle(θ)[b]
6 graphic file with name nihms800387t2.jpg 6.2 Å 73.4°
7 graphic file with name nihms800387t3.jpg 6.3 Å 120°
8 graphic file with name nihms800387t4.jpg 7.8 Å 160.9°
9 graphic file with name nihms800387t5.jpg 7.7 Å 115°
10 graphic file with name nihms800387t6.jpg 7.9 Å 115°
11 graphic file with name nihms800387t7.jpg 10.4 Å 139.3°
12 graphic file with name nihms800387t8.jpg 10.5 Å 141.6°
13 graphic file with name nihms800387t9.jpg 11.8 Å 168.9°
14 graphic file with name nihms800387t10.jpg 11.8 Å 172.1°
15 graphic file with name nihms800387t11.jpg 7.8 Å 79.4°
16 graphic file with name nihms800387t12.jpg 9.1 Å 118.8°
17 graphic file with name nihms800387t13.jpg 9.2 Å 108.3°
18 graphic file with name nihms800387t14.jpg 9.8 Å 104.3°
19 graphic file with name nihms800387t15.jpg 9.1 Å 124.6°
20 graphic file with name nihms800387t16.jpg 9.4 Å 154.5°
21 graphic file with name nihms800387t17.jpg 9.2 Å 168.3°
22 graphic file with name nihms800387t18.jpg 14.1 Å 180°
23 graphic file with name nihms800387t19.jpg 12.1 Å 180°
24 graphic file with name nihms800387t20.jpg 9.1 Å 120°
25 graphic file with name nihms800387t21.jpg 11.8 Å 170.7°
26 graphic file with name nihms800387t22.jpg 11.9 Å 166.6°
27 graphic file with name nihms800387t23.jpg 8.7 Å 163°
28 graphic file with name nihms800387t24.jpg 10.9 Å 172.2°
29 graphic file with name nihms800387t25.jpg 14.3 Å 160.5°
[a]

Distance measured between the oxygen bound to N-methylpiperidine and amide nitrogen of the biaryl side chain

[b]

Both distance and angles were measured in PyMOL after the 3D structures had been minimized through molecular dynamic simulations.