General Information of the Compound
| Compound ID |
CP0431878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-[7-(2,3-dihydro-1,4-benzoxathiin-6-ylmethyl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27FO7S
|
||||||||||||||||||
| Molecular Weight |
478.538
|
||||||||||||||||||
| Canonical SMILES |
COc1c2CCOc2c(Cc2ccc3OCCSc3c2)cc1[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27FO7S/c1-29-23-14-4-5-31-22(14)13(8-12-2-3-16-18(9-12)33-7-6-30-16)10-15(23)24-21(28)20(27)19(25)17(11-26)32-24/h2-3,9-10,17,19-21,24,26-28H,4-8,11H2,1H3/t17-,19-,20+,21-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BILUNNIHYDMSKS-MJALHYBGSA-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