1-(5-isoquinolinesulfonyl)-2-methylpiperazine (IQP) Summary
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- 1-(5-isoquinolinesulfonyl)-2-methylpiperazine (IQP) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | 0.101 | Rigid Ring |
| 2 | C1.1-C10.10-C5.5-C4.43-4-9-0 C1.4-C10.5-C5.10-C4.1 | -0.072 | Rigid Ring |
| 3 | C1.1-C10.10-C5.5-C6.65-4-9-0 C1.6-C10.5-C5.10-C6.1 | 179.881 | Rigid Ring |
| 4 | C1.1-C10.10-C9.9-C8.87-8-9-0 C1.8-C10.9-C9.10-C8.1 | -179.85 | Rigid Ring |
| 5 | C1.1-S.11-N1'.14-C2'.1514-13-10-0 C1.15-S.14-N1'.11-C2'.1 | 135.883 | Flexible |
| 6 | C1.1-S.11-N1'.14-C6'.2019-13-10-0 C1.20-S.14-N1'.11-C6'.1 | -92.244 | Flexible |
| 7 | C2.2-C1.1-C10.10-C5.54-9-0-1 C2.5-C1.10-C10.1-C5.2 | 0.211 | Rigid Ring |
| 8 | C2.2-C1.1-C10.10-C9.98-9-0-1 C2.9-C1.10-C10.1-C9.2 | -179.9 | Rigid Ring |
| 9 | C2.2-C1.1-S.11-O1.1211-10-0-1 C2.12-C1.11-S.1-O1.2 | -140.853 | Flexible |
| 10 | C2.2-C1.1-S.11-O2.1312-10-0-1 C2.13-C1.11-S.1-O2.2 | 91.403 | Flexible |
| 11 | C2.2-C1.1-S.11-N1'.1413-10-0-1 C2.14-C1.11-S.1-N1'.2 | -27.891 | Flexible |
| 12 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | 0.044 | Rigid Ring |
| 13 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | 179.991 | Rigid Ring |
| 14 | C3.3-C4.4-C5.5-C10.109-4-3-2 C3.10-C4.5-C5.4-C10.3 | -0.057 | Rigid Ring |
| 15 | C4.4-C5.5-C6.6-N7.76-5-4-3 C4.7-C5.6-C6.5-N7.4 | 179.924 | Rigid Ring |
| 16 | C4.4-C5.5-C10.10-C9.98-9-4-3 C4.9-C5.10-C10.5-C9.4 | -179.967 | Rigid Ring |
| 17 | C5.5-C6.6-N7.7-C8.87-6-5-4 C5.8-C6.7-N7.6-C8.5 | 0.049 | Rigid Ring |
| 18 | C5.5-C10.10-C9.9-C8.87-8-9-4 C5.8-C10.9-C9.10-C8.5 | 0.04 | Rigid Ring |
| 19 | C6.6-C5.5-C10.10-C9.98-9-4-5 C6.9-C5.10-C10.5-C9.6 | -0.013 | Rigid Ring |
| 20 | C6.6-N7.7-C8.8-C9.98-7-6-5 C6.9-N7.8-C8.7-C9.6 | -0.021 | Rigid Ring |
| 21 | N7.7-C6.6-C5.5-C10.109-4-5-6 N7.10-C6.5-C5.6-C10.7 | -0.029 | Rigid Ring |
| 22 | N7.7-C8.8-C9.9-C10.109-8-7-6 N7.10-C8.9-C9.8-C10.7 | -0.025 | Rigid Ring |
| 23 | C10.10-C1.1-C2.2-C3.32-1-0-9 C10.3-C1.2-C2.1-C3.10 | -0.229 | Rigid Ring |
| 24 | C10.10-C1.1-S.11-O1.1211-10-0-9 C10.12-C1.11-S.1-O1.10 | 39.312 | Flexible |
| 25 | C10.10-C1.1-S.11-O2.1312-10-0-9 C10.13-C1.11-S.1-O2.10 | -88.432 | Flexible |
| 26 | C10.10-C1.1-S.11-N1'.1413-10-0-9 C10.14-C1.11-S.1-N1'.10 | 152.274 | Flexible |
| 27 | S.11-C1.1-C2.2-C3.32-1-0-10 S.3-C1.2-C2.1-C3.11 | 179.932 | Rigid |
| 28 | S.11-C1.1-C10.10-C5.54-9-0-10 S.5-C1.10-C10.1-C5.11 | -179.954 | Rigid |
| 29 | S.11-C1.1-C10.10-C9.98-9-0-10 S.9-C1.10-C10.1-C9.11 | -0.065 | Rigid |
| 30 | S.11-N1'.14-C2'.15-CM2.1615-14-13-10 S.16-N1'.15-C2'.14-CM2.11 | 64.633 | Flexible |
| 31 | S.11-N1'.14-C2'.15-C3'.1716-14-13-10 S.17-N1'.15-C2'.14-C3'.11 | 179.256 | Flexible |
| 32 | S.11-N1'.14-C6'.20-C5'.1918-19-13-10 S.19-N1'.20-C6'.14-C5'.11 | 172.279 | Flexible |
| 33 | O1.12-S.11-N1'.14-C2'.1514-13-10-11 O1.15-S.14-N1'.11-C2'.12 | -110.762 | Flexible |
| 34 | O1.12-S.11-N1'.14-C6'.2019-13-10-11 O1.20-S.14-N1'.11-C6'.12 | 21.111 | Flexible |
| 35 | O2.13-S.11-N1'.14-C2'.1514-13-10-12 O2.15-S.14-N1'.11-C2'.13 | 24.997 | Flexible |
| 36 | O2.13-S.11-N1'.14-C6'.2019-13-10-12 O2.20-S.14-N1'.11-C6'.13 | 156.871 | Flexible |
| 37 | N1'.14-C2'.15-C3'.17-N4'.1817-16-14-13 N1'.18-C2'.17-C3'.15-N4'.14 | -47.778 | Flexible Ring |
| 38 | N1'.14-C6'.20-C5'.19-N4'.1817-18-19-13 N1'.18-C6'.19-C5'.20-N4'.14 | 57.986 | Flexible Ring |
| 39 | C2'.15-N1'.14-C6'.20-C5'.1918-19-13-14 C2'.19-N1'.20-C6'.14-C5'.15 | -56.705 | Flexible Ring |
| 40 | C2'.15-C3'.17-N4'.18-C5'.1918-17-16-14 C2'.19-C3'.18-N4'.17-C5'.15 | 58.974 | Flexible Ring |
| 41 | CM2.16-C2'.15-N1'.14-C6'.2019-13-14-15 CM2.20-C2'.14-N1'.15-C6'.16 | -64.49 | Flexible |
| 42 | CM2.16-C2'.15-C3'.17-N4'.1817-16-14-15 CM2.18-C2'.17-C3'.15-N4'.16 | 70.668 | Flexible |
| 43 | C3'.17-C2'.15-N1'.14-C6'.2019-13-14-16 C3'.20-C2'.14-N1'.15-C6'.17 | 50.133 | Flexible Ring |
| 44 | C3'.17-N4'.18-C5'.19-C6'.2019-18-17-16 C3'.20-N4'.19-C5'.18-C6'.17 | -62.248 | Flexible Ring |
Dihedrals Histogram