General Information of the Compound
| Compound ID |
CP0470818
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(beta-D-Glucopyranosyl)-4-chloro-3-(5-chloro-2-thienylmethyl)benzene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18Cl2O6S
|
||||||||||||||||||
| Molecular Weight |
421.298
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc(Cl)c2Cc2ccc(Cl)s2)[C@H](O)[C@@H](O)[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18Cl2O6S/c18-10-2-1-3-11(9(10)6-8-4-5-13(19)26-8)24-17-16(23)15(22)14(21)12(7-20)25-17/h1-5,12,14-17,20-23H,6-7H2/t12-,14-,15+,16-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATLQGVKOISZQKP-USACIQFYSA-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