General Information of the Compound
| Compound ID |
CP0435807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N2O2
|
||||||||||||||||||
| Molecular Weight |
336.435
|
||||||||||||||||||
| Canonical SMILES |
O=C1COC2(CCN(CCc3ccccc3)C2)CN1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2O2/c24-20-15-25-21(17-23(20)19-9-5-2-6-10-19)12-14-22(16-21)13-11-18-7-3-1-4-8-18/h1-10H,11-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFVLQPBMVRXGBD-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: PT01515, Mu-type opioid receptor
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1