General Information of the Compound
| Compound ID |
CP0212826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29NO3
|
||||||||||||||||||
| Molecular Weight |
379.5
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29NO3/c1-3-4-8-15-27-20-11-12-23-22(17-20)21(13-14-25-18(2)26)24(28-23)16-19-9-6-5-7-10-19/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLDBHVMPSCYVLU-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B