Compound CYY
Identifiers
- Canonical SMILES:
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1O
- IUPAC name:
(1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol
- InChi:
InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-
- InChiKey:
DTFAJAKTSMLKAT-JDCCYXBGSA-N
- SMARTS:
[#7]-[#6@@H]1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
CYY
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 1pbr | Sept. 12, 1996 | Fourmy Dominique, Recht Michael I., Blanchard Scott C., Puglisi Joseph D.. 1996. Structure of the A Site of Escherichia coli 16 S Ribosomal RNA Complexed with an Aminoglycoside Antibiotic Science |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 162.10 g/mol | |||
| HBA | 5 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -2.87 | |||
| TPSA | 112.73 | |||
| RB | 0 |