General Information of the Compound
| Compound ID |
CP0460143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(4-tert-butylbenzyloxy)-6-hydroxy-7-methoxybenzofuran-5-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24O5
|
||||||||||||||||||
| Molecular Weight |
368.429
|
||||||||||||||||||
| Canonical SMILES |
COc1c(O)c(C(C)=O)c(OCc2ccc(cc2)C(C)(C)C)c2ccoc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24O5/c1-13(23)17-18(24)21(25-5)20-16(10-11-26-20)19(17)27-12-14-6-8-15(9-7-14)22(2,3)4/h6-11,24H,12H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORHSBRGJHWPZKG-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