General Information of the Compound
| Compound ID |
CP0570045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H33F3N4O2
|
||||||||||||||||||
| Molecular Weight |
442.526
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H33F3N4O2/c1-3-10-27-11-13-28(14-12-27)21(8-15-31-16-9-21)17-29(20(30)4-2)19-7-5-6-18(26-19)22(23,24)25/h5-7H,3-4,8-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWJSAJQGUZTVMZ-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