General Information of the Compound
| Compound ID |
CP0530537
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-methyl-4-[(4-prop-2-enoxyphenyl)methyl]thiophen-2-yl]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26O6S
|
||||||||||||||||||
| Molecular Weight |
406.5
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc(cc1Cc1ccc(OCC=C)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26O6S/c1-3-8-26-15-6-4-13(5-7-15)9-14-10-17(28-12(14)2)21-20(25)19(24)18(23)16(11-22)27-21/h3-7,10,16,18-25H,1,8-9,11H2,2H3/t16-,18-,19+,20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEWXOYYSRUHCPZ-RQXATKFSSA-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