General Information of the Compound
| Compound ID |
CP0524884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-2-methoxy-5-((5-(thiophen-2-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22ClNO6S2
|
||||||||||||||||||
| Molecular Weight |
483.995
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Cl)c(Cc2ncc(s2)-c2cccs2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22ClNO6S2/c1-28-13-7-12(22)10(6-17-23-8-16(31-17)15-3-2-4-30-15)5-11(13)21-20(27)19(26)18(25)14(9-24)29-21/h2-5,7-8,14,18-21,24-27H,6,9H2,1H3/t14-,18-,19+,20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBDSKZBFPDCXCQ-SOBOGGEMSA-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