General Information of the Compound
| Compound ID |
CP0297177
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(cis, rac)-2-hydroxy-2-(3-methoxy-phenyl)-cyclohexyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N3O3
|
||||||||||||||||||
| Molecular Weight |
435.568
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N3O3/c1-32-22-11-7-8-20(18-22)26(31)13-6-5-12-23(26)28-16-14-25(15-17-28)24(30)27-19-29(25)21-9-3-2-4-10-21/h2-4,7-11,18,23,31H,5-6,12-17,19H2,1H3,(H,27,30)/t23-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIWGSGWQNAQCDH-ZEQKJWHPSA-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