General Information of the Compound
| Compound ID |
CP0525132
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(4-(methylthio)benzyl)-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NO6S
|
||||||||||||||||||
| Molecular Weight |
431.51
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc(Cc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NO6S/c1-30-14-7-5-12(6-8-14)9-13-10-23-15-3-2-4-16(18(13)15)28-22-21(27)20(26)19(25)17(11-24)29-22/h2-8,10,17,19-27H,9,11H2,1H3/t17-,19-,20+,21-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJPMFWJSNJAODK-MIUGBVLSSA-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