General Information of the Compound
| Compound ID |
CP0580220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClO6
|
||||||||||||||||||
| Molecular Weight |
420.889
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCOc3c2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClO6/c1-11-2-4-12(5-3-11)8-13-9-15(14-6-7-28-21(14)17(13)23)22-20(27)19(26)18(25)16(10-24)29-22/h2-5,9,16,18-20,22,24-27H,6-8,10H2,1H3/t16-,18-,19+,20-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHWOCVUYZATWPC-KQDNOMNESA-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 | |||||||||||||||||||
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