General Information of the Compound
| Compound ID |
CP0098830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H33NO
|
||||||||||||||||||
| Molecular Weight |
303.49
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(OCCCCCCN2CCC(C)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H33NO/c1-3-19-8-10-20(11-9-19)22-17-7-5-4-6-14-21-15-12-18(2)13-16-21/h8-11,18H,3-7,12-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPZAIVRBDAFEOR-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