General Information of the Compound
| Compound ID |
CP0508833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-hydroxyphenyl)methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19ClO6S
|
||||||||||||||||||
| Molecular Weight |
386.853
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(O)cc2)c(Cl)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19ClO6S/c18-17-9(5-8-1-3-10(20)4-2-8)6-12(25-17)16-15(23)14(22)13(21)11(7-19)24-16/h1-4,6,11,13-16,19-23H,5,7H2/t11-,13-,14+,15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDNHCWVUMFULBV-JZYAIQKZSA-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