General Information of the Compound
| Compound ID |
CP0435813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N2O3
|
||||||||||||||||||
| Molecular Weight |
470.613
|
||||||||||||||||||
| Canonical SMILES |
O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N2O3/c33-29-28(23-34-22-26-12-6-2-7-13-26)35-30(24-32(29)27-14-8-3-9-15-27)17-20-31(21-18-30)19-16-25-10-4-1-5-11-25/h1-15,28H,16-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCSZOZIYXZJENV-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1