General Information of the Compound
| Compound ID |
CP0541105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6-chloro-5-[[5-(hydroxymethyl)thiophen-2-yl]methyl]-6'-methylspiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClO6S
|
||||||||||||||||||
| Molecular Weight |
412.891
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1O[C@]2(OCc3cc(Cl)c(Cc4ccc(CO)s4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21ClO6S/c1-9-16(22)17(23)18(24)19(26-9)14-5-10(15(20)6-11(14)8-25-19)4-12-2-3-13(7-21)27-12/h2-3,5-6,9,16-18,21-24H,4,7-8H2,1H3/t9-,16-,17+,18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNEHQSOKOHNNGV-UVICMKTJSA-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