General Information of the Compound
| Compound ID |
CP0547988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3R,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-pyridin-2-ylsulfanyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClNO6S
|
||||||||||||||||||
| Molecular Weight |
516.015
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@@](O2)(Sc2ccccn2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClNO6S/c1-2-32-19-9-6-16(7-10-19)13-17-14-18(8-11-20(17)27)26-24(31)22(29)23(30)25(34-26,15-33-26)35-21-5-3-4-12-28-21/h3-12,14,22-24,29-31H,2,13,15H2,1H3/t22-,23-,24+,25+,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GLWMJQZKDJBLOZ-DQUFFZNGSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2