General Information of the Compound
| Compound ID |
CP0485883
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[8-(dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32N2OS
|
||||||||||||||||||
| Molecular Weight |
348.556
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)N1CCC2(C1)CCC(CC2)(N(C)C)c1sccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32N2OS/c1-5-6-17(23)22-13-12-19(15-22)8-10-20(11-9-19,21(3)4)18-16(2)7-14-24-18/h7,14H,5-6,8-13,15H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVCNKMWXNHLQIV-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