General Information of the Compound
| Compound ID |
CP0404155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O
|
||||||||||||||||||
| Molecular Weight |
334.463
|
||||||||||||||||||
| Canonical SMILES |
CC(C1=C(CCN2CCOCC2)Cc2ccccc12)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O/c1-17(21-8-4-5-10-23-21)22-19(9-11-24-12-14-25-15-13-24)16-18-6-2-3-7-20(18)22/h2-8,10,17H,9,11-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMVKVHVILBKUBG-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5