General Information of the Compound
| Compound ID |
CP0116997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)butoxy)isoindolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O2
|
||||||||||||||||||
| Molecular Weight |
405.542
|
||||||||||||||||||
| Canonical SMILES |
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-2-1-11-27-12-14-28(15-13-27)24-8-4-6-19-5-3-7-22(19)24/h4,6,8-10,17H,1-3,5,7,11-16,18H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJBISDNIYJBREA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor