General Information of the Compound
| Compound ID |
CP0452239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4S,5S,6R)-2-[[5-ethyl-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O7
|
||||||||||||||||||
| Molecular Weight |
470.522
|
||||||||||||||||||
| Canonical SMILES |
CCc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O7/c1-2-18-17(12-16-10-6-7-11-19(16)32-14-15-8-4-3-5-9-15)24(27-26-18)34-25-23(31)22(30)21(29)20(13-28)33-25/h3-11,20-23,25,28-31H,2,12-14H2,1H3,(H,26,27)/t20-,21-,22+,23-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCMXDCFNSOJXGI-ABMICEGHSA-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