General Information of the Compound
| Compound ID |
CP0497282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1'-(4-isopropylcyclohexyl)-2-oxospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1(2H)-yl)-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H35N3O3
|
||||||||||||||||||
| Molecular Weight |
413.562
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCC(CC2)C(C)C)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H35N3O3/c1-17(2)18-8-10-19(11-9-18)26-14-12-24(13-15-26)20-6-4-5-7-21(20)27(23(29)30-24)16-22(28)25-3/h4-7,17-19H,8-16H2,1-3H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSGGRILSKJJOSZ-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: PT01360, Nociceptin receptor