General Information of the Compound
| Compound ID |
CP0847217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-Bromo-5-(2-methoxyethoxy)benzyl]-1-[2-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32BrCl2NO4
|
||||||||||||||||||
| Molecular Weight |
561.344
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1ccc(Br)c(CC2CCN(CCc3cc4c(cc3Cl)OCCO4)CC2)c1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31BrClNO4.ClH/c1-29-10-11-30-21-2-3-22(26)20(15-21)14-18-4-7-28(8-5-18)9-6-19-16-24-25(17-23(19)27)32-13-12-31-24;/h2-3,15-18H,4-14H2,1H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGUIEZPZUKWOFL-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: PT00871, Sodium-dependent serotonin transporter