General Information of the Compound
| Compound ID |
CP0563260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidin-4-yl]oxybenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F3N3O5
|
||||||||||||||||||
| Molecular Weight |
439.39
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(OC2CCN(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F3N3O5/c21-20(22,23)31-17-7-3-14(4-8-17)24-19(29)25-26-11-9-16(10-12-26)30-15-5-1-13(2-6-15)18(27)28/h1-8,16H,9-12H2,(H,27,28)(H2,24,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXFNSWBDTUMUGY-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
Protein ID: PT01103, Bifunctional epoxide hydrolase 2
Protein ID: PT01099, Fatty-acid amide hydrolase 1