4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide (1KS) Summary

Dih. Atom names Experimental Type
1 F1.1-C1.2-C2.15-C3.2524-14-1-0 F1.25-C1.15-C2.2-C3.1 -179.693 Rigid
2 F1.1-C1.2-C7.35-C6.3332-34-1-0 F1.33-C1.35-C7.2-C6.1 178.979 Rigid
3 C1.2-C2.15-C3.25-C4.2827-24-14-1 C1.28-C2.25-C3.15-C4.2 -179.888 Rigid
4 C1.2-C2.15-C3.25-C5.3130-24-14-1 C1.31-C2.25-C3.15-C5.2 0.652 Rigid Ring
5 C1.2-C7.35-C6.33-C5.3130-32-34-1 C1.31-C7.33-C6.35-C5.2 0.768 Rigid Ring
6 O1.3-C8.36-N1.4-C10.54-3-35-2 O1.5-C8.4-N1.36-C10.3 -3.44 Rigid
7 O1.3-C8.36-N1.4-C9.3736-3-35-2 O1.37-C8.4-N1.36-C9.3 -179.786 Rigid
8 O1.3-C8.36-C5.31-C3.2524-30-35-2 O1.25-C8.31-C5.36-C3.3 -94.707 Flexible
9 O1.3-C8.36-C5.31-C6.3332-30-35-2 O1.33-C8.31-C5.36-C6.3 88.438 Flexible
10 N1.4-C10.5-C11.6-C12.76-5-4-3 N1.7-C10.6-C11.5-C12.4 172.758 Rigid
11 N1.4-C10.5-C14.9-C13.87-8-4-3 N1.8-C10.9-C14.5-C13.4 -175.998 Rigid
12 N1.4-C8.36-C5.31-C3.2524-30-35-3 N1.25-C8.31-C5.36-C3.4 83.868 Flexible
13 N1.4-C8.36-C5.31-C6.3332-30-35-3 N1.33-C8.31-C5.36-C6.4 -92.987 Flexible
14 C10.5-N1.4-C8.36-C5.3130-35-3-4 C10.31-N1.36-C8.4-C5.5 178.044 Rigid
15 C10.5-C11.6-C12.7-N2.1716-6-5-4 C10.17-C11.7-C12.6-N2.5 49.043 Rigid Ring
16 C10.5-C14.9-C13.8-N2.1716-7-8-4 C10.17-C14.8-C13.9-N2.5 -48.973 Rigid Ring
17 C11.6-C10.5-N1.4-C8.3635-3-4-5 C11.36-C10.4-N1.5-C8.6 -89.011 Flexible
18 C11.6-C10.5-N1.4-C9.3736-3-4-5 C11.37-C10.4-N1.5-C9.6 87.388 Flexible
19 C11.6-C10.5-C14.9-C13.87-8-4-5 C11.8-C10.9-C14.5-C13.6 52.768 Rigid Ring
20 C11.6-C12.7-N2.17-C13.87-16-6-5 C11.8-C12.17-N2.7-C13.6 -47.445 Rigid Ring
21 C11.6-C12.7-N2.17-C15.109-16-6-5 C11.10-C12.17-N2.7-C15.6 94.717 Flexible
22 C12.7-C11.6-C10.5-C14.98-4-5-6 C12.9-C11.5-C10.6-C14.7 -52.426 Rigid Ring
23 C12.7-N2.17-C13.8-C14.98-7-16-6 C12.9-N2.8-C13.17-C14.7 47.101 Rigid Ring
24 C12.7-N2.17-C15.10-C16.1110-9-16-6 C12.11-N2.10-C15.17-C16.7 73.117 Flexible
25 C12.7-N2.17-C15.10-N4.3029-9-16-6 C12.30-N2.10-C15.17-N4.7 -115.795 Flexible
26 C13.8-N2.17-C15.10-C16.1110-9-16-7 C13.11-N2.10-C15.17-C16.8 -145.232 Flexible
27 C13.8-N2.17-C15.10-N4.3029-9-16-7 C13.30-N2.10-C15.17-N4.8 25.857 Flexible
28 C14.9-C10.5-N1.4-C8.3635-3-4-8 C14.36-C10.4-N1.5-C8.9 138.122 Flexible
29 C14.9-C10.5-N1.4-C9.3736-3-4-8 C14.37-C10.4-N1.5-C9.9 -45.48 Flexible
30 C14.9-C13.8-N2.17-C15.109-16-7-8 C14.10-C13.17-N2.8-C15.9 -95.57 Flexible
31 C15.10-C16.11-C17.12-C18.1312-11-10-9 C15.13-C16.12-C17.11-C18.10 178.684 Rigid Ring
32 C15.10-C16.11-C17.12-C22.2019-11-10-9 C15.20-C16.12-C17.11-C22.10 1.008 Rigid Ring
33 C15.10-C16.11-C21.19-C20.1817-18-10-9 C15.18-C16.19-C21.11-C20.10 -179.937 Rigid Ring
34 C15.10-N4.30-N3.27-C22.2019-26-29-9 C15.20-N4.27-N3.30-C22.10 1.386 Rigid Ring
35 C16.11-C15.10-N4.30-N3.2726-29-9-10 C16.27-C15.30-N4.10-N3.11 -2.571 Rigid Ring
36 C16.11-C17.12-C18.13-C19.1413-12-11-10 C16.14-C17.13-C18.12-C19.11 2.31 Rigid Ring
37 C16.11-C17.12-C22.20-C23.2120-19-11-10 C16.21-C17.20-C22.12-C23.11 -178.009 Rigid
38 C16.11-C17.12-C22.20-N3.2726-19-11-10 C16.27-C17.20-C22.12-N3.11 -2.29 Rigid Ring
39 C16.11-C21.19-C20.18-C19.1413-17-18-10 C16.14-C21.18-C20.19-C19.11 -0.022 Rigid Ring
40 C17.12-C16.11-C15.10-N2.1716-9-10-11 C17.17-C16.10-C15.11-N2.12 172.485 Rigid
41 C17.12-C16.11-C15.10-N4.3029-9-10-11 C17.30-C16.10-C15.11-N4.12 1.286 Rigid Ring
42 C17.12-C16.11-C21.19-C20.1817-18-10-11 C17.18-C16.19-C21.11-C20.12 3.065 Rigid Ring
43 C17.12-C18.13-C19.14-C20.1817-13-12-11 C17.18-C18.14-C19.13-C20.12 0.739 Rigid Ring
44 C17.12-C22.20-C23.21-C24.2221-20-19-11 C17.22-C22.21-C23.20-C24.12 68.825 Flexible
45 C17.12-C22.20-C23.21-N6.3433-20-19-11 C17.34-C22.21-C23.20-N6.12 -111.611 Flexible
46 C17.12-C22.20-N3.27-N4.3029-26-19-11 C17.30-C22.27-N3.20-N4.12 1.187 Rigid Ring
47 C18.13-C17.12-C16.11-C21.1918-10-11-12 C18.19-C17.11-C16.12-C21.13 -4.157 Rigid Ring
48 C18.13-C17.12-C22.20-C23.2120-19-11-12 C18.21-C17.20-C22.12-C23.13 4.494 Rigid
49 C18.13-C17.12-C22.20-N3.2726-19-11-12 C18.27-C17.20-C22.12-N3.13 -179.787 Rigid Ring
50 C18.13-C19.14-C20.18-C21.1918-17-13-12 C18.19-C19.18-C20.14-C21.13 -1.957 Rigid Ring
51 C19.14-C18.13-C17.12-C22.2019-11-12-13 C19.20-C18.12-C17.13-C22.14 179.754 Rigid Ring
52 C2.15-C1.2-C7.35-C6.3332-34-1-14 C2.33-C1.35-C7.2-C6.15 -1.02 Rigid Ring
53 C2.15-C3.25-C4.28-F2.1615-27-24-14 C2.16-C3.28-C4.25-F2.15 -0.53 Flexible
54 C2.15-C3.25-C4.28-F3.2625-27-24-14 C2.26-C3.28-C4.25-F3.15 -119.97 Flexible
55 C2.15-C3.25-C4.28-F4.2928-27-24-14 C2.29-C3.28-C4.25-F4.15 120.235 Flexible
56 C2.15-C3.25-C5.31-C6.3332-30-24-14 C2.33-C3.31-C5.25-C6.15 -0.905 Rigid Ring
57 C2.15-C3.25-C5.31-C8.3635-30-24-14 C2.36-C3.31-C5.25-C8.15 -177.662 Rigid
58 F2.16-C4.28-C3.25-C5.3130-24-27-15 F2.31-C4.25-C3.28-C5.16 178.918 Flexible
59 N2.17-C15.10-C16.11-C21.1918-10-9-16 N2.19-C15.11-C16.10-C21.17 -4.52 Rigid
60 N2.17-C15.10-N4.30-N3.2726-29-9-16 N2.27-C15.30-N4.10-N3.17 -173.666 Rigid
61 C21.19-C16.11-C15.10-N4.3029-9-10-18 C21.30-C16.10-C15.11-N4.19 -175.719 Rigid Ring
62 C21.19-C16.11-C17.12-C22.2019-11-10-18 C21.20-C16.12-C17.11-C22.19 178.167 Rigid Ring
63 C22.20-C23.21-C24.22-C25.2322-21-20-19 C22.23-C23.22-C24.21-C25.20 -179.102 Rigid
64 C22.20-C23.21-N6.34-C26.2423-33-20-19 C22.24-C23.34-N6.21-C26.20 2.546 Rigid
65 C22.20-C23.21-N6.34-N5.3231-33-20-19 C22.32-C23.34-N6.21-N5.20 178.642 Rigid
66 C23.21-C22.20-N3.27-N4.3029-26-19-20 C23.30-C22.27-N3.20-N4.21 176.884 Rigid
67 C23.21-C24.22-C25.23-N5.3231-22-21-20 C23.32-C24.23-C25.22-N5.21 -0.488 Rigid Ring
68 C23.21-N6.34-N5.32-C25.2322-31-33-20 C23.23-N6.32-N5.34-C25.21 1.388 Rigid Ring
69 C24.22-C23.21-C22.20-N3.2726-19-20-21 C24.27-C23.20-C22.21-N3.22 -107.118 Flexible
70 C24.22-C23.21-N6.34-C26.2423-33-20-21 C24.24-C23.34-N6.21-C26.22 -177.823 Rigid
71 C24.22-C23.21-N6.34-N5.3231-33-20-21 C24.32-C23.34-N6.21-N5.22 -1.727 Rigid Ring
72 C24.22-C25.23-N5.32-N6.3433-31-22-21 C24.34-C25.32-N5.23-N6.22 -0.529 Rigid Ring
73 C25.23-C24.22-C23.21-N6.3433-20-21-22 C25.34-C24.21-C23.22-N6.23 1.248 Rigid Ring
74 C25.23-N5.32-N6.34-C26.2423-33-31-22 C25.24-N5.34-N6.32-C26.23 177.564 Rigid
75 C3.25-C2.15-C1.2-C7.3534-1-14-24 C3.35-C2.2-C1.15-C7.25 0.305 Rigid Ring
76 C3.25-C5.31-C6.33-C7.3534-32-30-24 C3.35-C5.33-C6.31-C7.25 0.202 Rigid Ring
77 F3.26-C4.28-C3.25-C5.3130-24-27-25 F3.31-C4.25-C3.28-C5.26 59.478 Flexible
78 N3.27-C22.20-C23.21-N6.3433-20-19-26 N3.34-C22.21-C23.20-N6.27 72.446 Flexible
79 C4.28-C3.25-C5.31-C6.3332-30-24-27 C4.33-C3.31-C5.25-C6.28 179.635 Rigid
80 C4.28-C3.25-C5.31-C8.3635-30-24-27 C4.36-C3.31-C5.25-C8.28 2.878 Rigid
81 F4.29-C4.28-C3.25-C5.3130-24-27-28 F4.31-C4.25-C3.28-C5.29 -60.317 Flexible
82 C5.31-C8.36-N1.4-C9.3736-3-35-30 C5.37-C8.4-N1.36-C9.31 1.697 Rigid
83 C7.35-C6.33-C5.31-C8.3635-30-32-34 C7.36-C6.31-C5.33-C8.35 177.071 Rigid
Dihedrals
 
Dihedrals Histogram