General Information of the Compound
| Compound ID |
CP0458752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-hydroxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22O6S
|
||||||||||||||||||
| Molecular Weight |
366.435
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc(cc1Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22O6S/c1-9-11(6-10-2-4-12(20)5-3-10)7-14(25-9)18-17(23)16(22)15(21)13(8-19)24-18/h2-5,7,13,15-23H,6,8H2,1H3/t13-,15-,16+,17-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPYQSAFSUDDQJN-LHKMKVQPSA-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