General Information of the Compound
| Compound ID |
CP0527637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,6R)-2-[4-chloro-2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClF2O6
|
||||||||||||||||||
| Molecular Weight |
430.831
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)C(F)(F)[C@H](O)[C@H]3O)c(O)cc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClF2O6/c1-28-12-4-2-10(3-5-12)6-11-7-13(15(25)8-14(11)21)18-17(26)19(27)20(22,23)16(9-24)29-18/h2-5,7-8,16-19,24-27H,6,9H2,1H3/t16-,17+,18+,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCUVOYYYEQWSEP-YDZRNGNQSA-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