General Information of the Compound
| Compound ID |
CP0502997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((2S,3S,4R,5R,6S)-6-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClNO6S
|
||||||||||||||||||
| Molecular Weight |
463.939
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClNO6S/c1-2-14(25)22-20(28)18(26)19(27)21(30-22)11-5-6-13(23)12(8-11)9-17-24-10-16(31-17)15-4-3-7-29-15/h3-8,10,18-22,26-28H,2,9H2,1H3/t18-,19-,20+,21+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJRGLITVAGQYEQ-LXHROKJGSA-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