General Information of the Compound
| Compound ID |
CP0379665
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methoxypyridin-2-yl)-1-[2-[1-(4-pyrimidin-2-ylphenyl)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N5O2
|
||||||||||||||||||
| Molecular Weight |
457.578
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(=O)N2CCC3(CN(C3)C(C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBWXZZBFWOHLCS-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: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2