General Information of the Compound
| Compound ID |
CP0389454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N2
|
||||||||||||||||||
| Molecular Weight |
346.518
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N2/c1-25-17-21-8-3-2-7-20(21)16-22(25)18-26-14-12-24(13-15-26)11-10-19-6-4-5-9-23(19)24/h2-9,22H,10-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNNIFYKQWKITRQ-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