General Information of the Compound
| Compound ID |
CP0509534
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27NO3
|
||||||||||||||||||
| Molecular Weight |
377.484
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccccc1C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27NO3/c1-15(2)28-23-7-5-4-6-18(23)21-14-17-8-9-22-20(11-13-27-22)24(17)19(21)10-12-25-16(3)26/h4-9,15H,10-14H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXIYHVCEIJOWOH-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