General Information of the Compound
| Compound ID |
CP0404849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-cyclooctylmethyl-6-methoxy-1-methylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34N2O2
|
||||||||||||||||||
| Molecular Weight |
370.537
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34N2O2/c1-24-21-16-19(27-2)10-11-20(21)23(22(24)26)12-14-25(15-13-23)17-18-8-6-4-3-5-7-9-18/h10-11,16,18H,3-9,12-15,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUMZENWKNYMHPS-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