General Information of the Compound
| Compound ID |
CP0539898
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30N2O2
|
||||||||||||||||||
| Molecular Weight |
330.472
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N2O2/c1-16(2)22-15-20(24-17(3)19(22)23)10-13-21(14-11-20)12-9-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXMYQZAEDKKWCL-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