General Information of the Compound
| Compound ID |
CP0437824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-methoxy-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N2O4
|
||||||||||||||||||
| Molecular Weight |
396.487
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2CN(C(=O)c12)c1ccc(OC)c(OCCN2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N2O4/c1-27-19-10-9-18(15-21(19)29-14-13-24-11-4-3-5-12-24)25-16-17-7-6-8-20(28-2)22(17)23(25)26/h6-10,15H,3-5,11-14,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTRMSTRJUZTMKW-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C