General Information of the Compound
| Compound ID |
CP0562523
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-4-chloro-2-methoxyphenyl]-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21ClF2O5S
|
||||||||||||||||||
| Molecular Weight |
470.921
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Cl)c(Cc2cc3ccccc3s2)cc1[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClF2O5S/c1-29-16-9-15(23)12(7-13-6-11-4-2-3-5-17(11)31-13)8-14(16)20-19(27)21(28)22(24,25)18(10-26)30-20/h2-6,8-9,18-21,26-28H,7,10H2,1H3/t18-,19+,20+,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDJRROXRYCTJJZ-IVAOSVALSA-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 | |||||||||||||||||||
| 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