General Information of the Compound
| Compound ID |
CP0523809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(beta-D-Glucopyranosyl)-3-(5-ethyl-2-thienylmethyl)benzene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24O6S
|
||||||||||||||||||
| Molecular Weight |
380.462
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24O6S/c1-2-12-7-8-13(26-12)9-11-5-3-4-6-14(11)24-19-18(23)17(22)16(21)15(10-20)25-19/h3-8,15-23H,2,9-10H2,1H3/t15-,16-,17+,18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIAXNGSHWOOIQC-UJWQCDCRSA-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