General Information of the Compound
| Compound ID |
CP0485773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S)-2-{4-Chloro-3-[4-(2-methoxy-ethoxy)-benzyl]-phenyl}-6-methoxy-tetrahydropyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27ClO7
|
||||||||||||||||||
| Molecular Weight |
438.904
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27ClO7/c1-27-9-10-29-16-6-3-13(4-7-16)11-15-12-14(5-8-17(15)23)21-19(25)18(24)20(26)22(28-2)30-21/h3-8,12,18-22,24-26H,9-11H2,1-2H3/t18-,19-,20+,21+,22?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISUUGWMDLMATOX-RPKDUVEISA-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