General Information of the Compound
Compound ID |
CP0178147
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethan-1-one
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C16H12O3S
|
||||||||||||||||||
Molecular Weight |
284.336
|
||||||||||||||||||
Canonical SMILES |
CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3
Show/Hide
|
||||||||||||||||||
InChIKey |
OMWHRKOJZOAICL-UHFFFAOYSA-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