General Information of the Compound
| Compound ID |
CP0851049
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1'H-spiro[indene-1,4'-piperidine]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N
|
||||||||||||||||||
| Molecular Weight |
331.503
|
||||||||||||||||||
| Canonical SMILES |
c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N/c1-2-7-22-17-19(9-10-20(22)5-1)18-25-15-13-24(14-16-25)12-11-21-6-3-4-8-23(21)24/h1-8,19H,9-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJMRQGRZSJFPFQ-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