General Information of the Compound
| Compound ID |
CP0450475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[2-(ethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40N4O
|
||||||||||||||||||
| Molecular Weight |
460.666
|
||||||||||||||||||
| Canonical SMILES |
CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40N4O/c1-4-30-18-21-32-22-33(23-10-6-5-7-11-23)29(27(32)34)16-19-31(20-17-29)26-14-15-28(2,3)25-13-9-8-12-24(25)26/h5-13,26,30H,4,14-22H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPEMYEUTUHZLSU-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