General Information of the Compound
| Compound ID |
CP0476837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,3'R,4'S,5'S,6'R)-5-[(5-ethylthiophen-2-yl)methyl]-6-fluoro-6'-methylspiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23FO5S
|
||||||||||||||||||
| Molecular Weight |
394.464
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)cc2F)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23FO5S/c1-3-13-4-5-14(27-13)6-11-7-15-12(8-16(11)21)9-25-20(15)19(24)18(23)17(22)10(2)26-20/h4-5,7-8,10,17-19,22-24H,3,6,9H2,1-2H3/t10-,17-,18+,19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FEMMNKQITNDNJD-RDHZRAOUSA-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