Compound GE3
Identifiers
- Canonical SMILES:
CN[C@@H]1[C@@H](O)[C@@H](O)OC[C@]1(C)O
- IUPAC name:
3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranose
- InChi:
InChI=1S/C7H15NO4/c1-7(11)3-12-6(10)4(9)5(7)8-2/h4-6,8-11H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1
- InChiKey:
VXWORWYFOFDZLY-JWXFUTCRSA-N
- SMARTS:
[#6]-[#7]-[#6@@H]1-[#6@@H](-[#8])-[#6@@H](-[#8])-[#8]-[#6]-[#6@]-1(-[#6])-[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
444690
GE3
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 1byj | Oct. 16, 1998 | Yoshizawa Satoko, Fourmy Dominique, Puglisi Joseph D.. 1998. Structural origins of gentamicin antibiotic action The EMBO Journal |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 177.10 g/mol | |||
| HBA | 5 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -1.97 | |||
| TPSA | 81.95 | |||
| RB | 1 |