General Information of the Compound
| Compound ID |
CP0492825
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-methoxymethyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30ClN3O2
|
||||||||||||||||||
| Molecular Weight |
439.987
|
||||||||||||||||||
| Canonical SMILES |
COCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClN3O2/c1-31-18-28-17-29(20-7-3-2-4-8-20)25(24(28)30)12-14-27(15-13-25)21-11-10-19-6-5-9-23(26)22(19)16-21/h2-9,21H,10-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEJXBBLSIGQZQJ-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