General Information of the Compound
| Compound ID |
CP0458106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-6-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H29ClN2
|
||||||||||||||||||
| Molecular Weight |
477.051
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H29ClN2/c33-26-12-13-27-29(21-35(31(27)19-26)20-22-6-2-1-3-7-22)23-14-16-34(17-15-23)30-18-25-10-4-8-24-9-5-11-28(30)32(24)25/h1-13,19,21,23,30H,14-18,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSQJWIXWIZYOJT-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