General Information of the Compound
| Compound ID |
CP0499316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24O6S
|
||||||||||||||||||
| Molecular Weight |
380.462
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cc2cc(sc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24O6S/c1-10-12(7-11-3-5-13(24-2)6-4-11)8-15(26-10)19-18(23)17(22)16(21)14(9-20)25-19/h3-6,8,14,16-23H,7,9H2,1-2H3/t14-,16-,17+,18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PORNCOGKKTUOIB-FTWQHDNSSA-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