General Information of the Compound
| Compound ID |
CP0284847
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18ClF3N2O5S
|
||||||||||||||||||
| Molecular Weight |
454.854
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2nnc(CC(F)(F)F)s2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18ClF3N2O5S/c18-9-2-1-7(16-15(27)14(26)13(25)10(6-24)28-16)3-8(9)4-11-22-23-12(29-11)5-17(19,20)21/h1-3,10,13-16,24-27H,4-6H2/t10-,13-,14+,15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUQDEHLJOCKONX-IRHMCKRBSA-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