General Information of the Compound
| Compound ID |
CP0145418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37N3O3
|
||||||||||||||||||
| Molecular Weight |
451.611
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)C(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N3O3/c1-20(2)24(33-25-18-23(32-4)11-10-21(25)3)12-15-29-16-13-27(14-17-29)26(31)28-19-30(27)22-8-6-5-7-9-22/h5-11,18,20,24H,12-17,19H2,1-4H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFAIVSNIWWKITN-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