General Information of the Compound
| Compound ID |
CP0481258
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6-fluoropyridin-3-yl)methyl]-6-[4-(3-pyridin-4-ylpyridin-2-yl)piperazin-1-yl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31FN6O
|
||||||||||||||||||
| Molecular Weight |
462.573
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31FN6O/c27-24-8-7-21(19-30-24)20-31-25(34)6-2-1-3-14-32-15-17-33(18-16-32)26-23(5-4-11-29-26)22-9-12-28-13-10-22/h4-5,7-13,19H,1-3,6,14-18,20H2,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFULEWNHRCMJDA-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: PT00941, 5-hydroxytryptamine receptor 7