General Information of the Compound
| Compound ID |
CP0053103
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-5-methylisoindolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
447.554
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30FN3O2/c1-19-16-21-18-29-27(32)22(21)17-25(19)33-15-3-2-10-30-11-13-31(14-12-30)24-9-5-7-20-6-4-8-23(28)26(20)24/h4-9,16-17H,2-3,10-15,18H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBBDMGBKCDPMSN-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
Protein ID: PT00871, Sodium-dependent serotonin transporter