Compound E7X
Identifiers
- Canonical SMILES:
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN(CCO)CC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]3O
- InChi:
InChI=1S/C16H25N7O6/c17-8(16(27)28)1-2-22(3-4-24)5-9-11(25)12(26)15(29-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-26H,1-5,17H2,(H,27,28)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
- InChiKey:
OHBJWDDPDJOYBP-OPYVMVOTSA-N
- SMARTS:
[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:1:2)-[#6@@H]1-[#8]-[#6@H](-[#6]-[#7](-[#6]-[#6]-[#8])-[#6]-[#6]-[#6@H](-[#7+])-[#6](-[#8-])=[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
49859749
E7X
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 411.19 g/mol | |||
| HBA | 11 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -4.93 | |||
| TPSA | 210.55 | |||
| RB | 9 |