General Information of the Compound
| Compound ID |
CP0883136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-(1H-imidazol-4-yl)-pentyl]-azepane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H25N3
|
||||||||||||||||||
| Molecular Weight |
235.375
|
||||||||||||||||||
| Canonical SMILES |
c1nc(CCCCCN2CCCCCC2)c[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H25N3/c1-2-6-10-17(9-5-1)11-7-3-4-8-14-12-15-13-16-14/h12-13H,1-11H2,(H,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNBGWUKXSAVPOB-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor