General Information of the Compound
| Compound ID |
CP0502556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H19N5
|
||||||||||||||||||
| Molecular Weight |
245.33
|
||||||||||||||||||
| Canonical SMILES |
C(Cn1cc(CC2CCCC2)nn1)c1cnc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H19N5/c1-2-4-11(3-1)7-13-9-18(17-16-13)6-5-12-8-14-10-15-12/h8-11H,1-7H2,(H,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBAPLMPNRPQJSQ-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