General Information of the Compound
| Compound ID |
CP0441681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31FN2
|
||||||||||||||||||
| Molecular Weight |
342.502
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBBYVYIYJFRBCC-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor