General Information of the Compound
| Compound ID |
CP0446496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31ClN2
|
||||||||||||||||||
| Molecular Weight |
358.957
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31ClN2/c23-21-10-6-9-19-20(15-24-22(19)21)18-11-13-25(14-12-18)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17-18,24H,1-5,7-8,11-14,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFOKKLNWASJYSD-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