General Information of the Compound
| Compound ID |
CP0053045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-fluoro-6-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27F2N3O2
|
||||||||||||||||||
| Molecular Weight |
451.517
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27F2N3O2/c27-20-7-6-18-4-3-5-24(21(18)15-20)31-11-9-30(10-12-31)8-1-2-13-33-25-16-22-19(14-23(25)28)17-29-26(22)32/h3-7,14-16H,1-2,8-13,17H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNYPKNGYEMSOEU-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