General Information of the Compound
| Compound ID |
CP0568737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N3O2
|
||||||||||||||||||
| Molecular Weight |
421.585
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O2/c1-2-25(30)29(24-11-7-4-8-12-24)22-26(13-19-31-20-14-26)28-17-15-27(16-18-28)21-23-9-5-3-6-10-23/h3-12H,2,13-22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBNDZHBEHXBGDO-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 | |||||||||||||||||||
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: PT01515, Mu-type opioid receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2