General Information of the Compound
Compound ID |
CP0176182
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-morpholin-4-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C26H27NO5S
|
||||||||||||||||||
Molecular Weight |
465.571
|
||||||||||||||||||
Canonical SMILES |
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C26H27NO5S/c28-20-3-1-2-19(16-20)26-25(32-23-9-6-21(29)17-24(23)33-26)18-4-7-22(8-5-18)31-15-12-27-10-13-30-14-11-27/h1-9,16-17,25-26,28-29H,10-15H2/t25-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
YHGHMFOYFUPMEB-IZZNHLLZSA-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