Compound HKO
Identifiers
- Canonical SMILES:
CN[C@H]1[C@H](O)[C@H](O[C@H]2C[C@@]12O)O[C@@H]3[C@@H](C[C@@H](N)[C@H](O[C@H]4O[C@H](CN)CC[C@H]4N)[C@H]3O)N[S](=O)(=O)c5cccnc5
- InChi:
InChI=1S/C24H40N6O9S/c1-28-21-18(32)23(37-16-8-24(16,21)33)39-20-15(30-40(34,35)12-3-2-6-29-10-12)7-14(27)19(17(20)31)38-22-13(26)5-4-11(9-25)36-22/h2-3,6,10-11,13-23,28,30-33H,4-5,7-9,25-27H2,1H3/t11-,13+,14+,15+,16-,17+,18-,19-,20+,21-,22+,23+,24-/m0/s1
- InChiKey:
PLNNWXHFRHQFIG-QUYPYEIISA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
162394531
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 7dui | Jan. 9, 2021 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 588.26 g/mol | |||
| HBA | 14 | |||
| HBD | 8 | |||
| HBA + HBD | ||||
| AlogP | -3.81 | |||
| TPSA | 246.76 | |||
| RB | 9 |