General Information of the Compound
| Compound ID |
CP0436141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
Show/Hide
|
||||||||||||||||||
| Synonyms |
1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
1-phenyl-4-{[4-(1H-pyrazol-1-yl)phenyl]methyl}piperazine
AKOS033005282
BDBM50184798
CHEMBL210318
MCULE-2217757517
MolPort-009-381-113
Z104379906
ZINC12523427
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4
|
||||||||||||||||||
| Molecular Weight |
318.424
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-n1cccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4/c1-2-5-19(6-3-1)23-15-13-22(14-16-23)17-18-7-9-20(10-8-18)24-12-4-11-21-24/h1-12H,13-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKQSDHHTBMYENT-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
Clinical Information about the Compound