General Information of the Compound
| Compound ID |
CP0233589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-fluoro-6-(3-(4-(6-fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F2N3O2
|
||||||||||||||||||
| Molecular Weight |
437.49
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F2N3O2/c26-19-6-7-20-17(15-19)3-1-4-21(20)30-12-10-29(11-13-30)9-2-14-32-22-8-5-18-16-28-25(31)23(18)24(22)27/h1,3-8,15H,2,9-14,16H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCIZDOBRHYWEBN-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