General Information of the Compound
| Compound ID |
CP0961701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)-N-phenylpiperidine-1-carboxamide trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24F6N4O4
|
||||||||||||||||||
| Molecular Weight |
522.446
|
||||||||||||||||||
| Canonical SMILES |
NCc1cc(OCC2CCN(C(=O)Nc3ccccc3)CC2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F3N4O2.C2HF3O2/c21-20(22,23)17-10-15(12-24)11-18(26-17)29-13-14-6-8-27(9-7-14)19(28)25-16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-5,10-11,14H,6-9,12-13,24H2,(H,25,28);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUKKHDAAZMVZGX-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