General Information of the Compound
| Compound ID |
CP0071564
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28FN3O2
|
||||||||||||||||||
| Molecular Weight |
433.527
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28FN3O2/c27-21-8-6-19-4-3-5-25(23(19)16-21)30-13-11-29(12-14-30)10-1-2-15-32-22-9-7-20-18-28-26(31)24(20)17-22/h3-9,16-17H,1-2,10-15,18H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIVZLAMKROFZLS-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