General Information of the Compound
| Compound ID |
CP0378749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3
|
||||||||||||||||||
| Molecular Weight |
315.42
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOKGFRGTMUWXQL-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