General Information of the Compound
| Compound ID |
CP0387563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-[4-[[4-ethyl-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37NO4
|
||||||||||||||||||
| Molecular Weight |
451.607
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)cc1OCCOC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37NO4/c1-3-24-6-4-23(20-28(24)33-17-16-31-2)18-22-9-13-29(14-10-22)12-8-21-5-7-27-25(19-21)26(30)11-15-32-27/h4-7,19-20,22H,3,8-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LEEQHZYWNIUYJZ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter