General Information of the Compound
| Compound ID |
CP0415388
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H23F3N2O2
|
||||||||||||||||||
| Molecular Weight |
332.366
|
||||||||||||||||||
| Canonical SMILES |
CNCCN1CCC(CC1)OCc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H23F3N2O2/c1-20-8-11-21-9-6-14(7-10-21)22-12-13-2-4-15(5-3-13)23-16(17,18)19/h2-5,14,20H,6-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXTSMPSQQKIELG-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