General Information of the Compound
| Compound ID |
CP0439296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Benzyl-4-(5-benzyl-1H-pyrazol-3-yl)-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3
|
||||||||||||||||||
| Molecular Weight |
331.463
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCC(CC1)c1cc(Cc2ccccc2)[nH]n1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3/c1-3-7-18(8-4-1)15-21-16-22(24-23-21)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QAPWGFAFNBTWSU-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor