General Information of the Compound
| Compound ID |
CP0421193
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-phenoxybenzyl)piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21NO3
|
||||||||||||||||||
| Molecular Weight |
311.381
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21NO3/c21-19(22)16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-8,13,16H,9-12,14H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHHPNELKVATLRV-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