General Information of the Compound
| Compound ID |
CP0414922
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Allyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
470.444
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(CC=C)C2=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29Cl2N3O/c1-2-14-30-18-31(19-6-4-3-5-7-19)26(25(30)32)12-15-29(16-13-26)20-8-9-21-22(17-20)24(28)11-10-23(21)27/h2-7,10-11,20H,1,8-9,12-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAHRJFAYDOYKDX-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor