General Information of the Compound
| Compound ID |
CP0504577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-ethoxythiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22ClNO6S
|
||||||||||||||||||
| Molecular Weight |
415.895
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cnc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22ClNO6S/c1-2-25-14-7-20-13(27-14)6-10-5-9(3-4-11(10)19)18-17(24)16(23)15(22)12(8-21)26-18/h3-5,7,12,15-18,21-24H,2,6,8H2,1H3/t12-,15-,16+,17-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWVMPFYJHUUMON-CUWKQTPXSA-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