General Information of the Compound
| Compound ID |
CP0918257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl]isoxazolidin-3-one oxalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2O6
|
||||||||||||||||||
| Molecular Weight |
360.366
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)C(=O)O.O=C1CCON1CC#CCN1CCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N2O2.C2H2O4/c19-16-8-12-20-18(16)10-4-3-9-17-11-7-14-5-1-2-6-15(14)13-17;3-1(4)2(5)6/h1-2,5-6H,7-13H2;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIEYYLCKBCZAER-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01516, Muscarinic acetylcholine receptor M5