General Information of the Compound
| Compound ID |
CP0278253
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Cyclohexylamino-1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-piperidine-4-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32FN3O2
|
||||||||||||||||||
| Molecular Weight |
389.515
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32FN3O2/c23-18-10-8-17(9-11-18)20(27)7-4-14-26-15-12-22(13-16-26,21(24)28)25-19-5-2-1-3-6-19/h8-11,19,25H,1-7,12-16H2,(H2,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJIUVZMPUMVXGO-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C