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