General Information of the Compound
| Compound ID |
CP0401541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(4-methoxyphenethyl)-6-methyl-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29NO7
|
||||||||||||||||||
| Molecular Weight |
443.496
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCc2c[nH]c3cc(C)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29NO7/c1-13-9-17-20(15(11-25-17)6-3-14-4-7-16(30-2)8-5-14)18(10-13)31-24-23(29)22(28)21(27)19(12-26)32-24/h4-5,7-11,19,21-29H,3,6,12H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJAWUCGYIXJOSI-PFKOEMKTSA-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