General Information of the Compound
| Compound ID |
CP0518479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H22FN5
|
||||||||||||||||||
| Molecular Weight |
303.385
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJTNUVXGKSYZBJ-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1