General Information of the Compound
| Compound ID |
CP0297521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29FN4
|
||||||||||||||||||
| Molecular Weight |
404.533
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1N1CCN(CCCCNc2cc(ccn2)-c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29FN4/c26-23-10-4-5-11-24(23)30-18-16-29(17-19-30)15-7-6-13-27-25-20-22(12-14-28-25)21-8-2-1-3-9-21/h1-5,8-12,14,20H,6-7,13,15-19H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDQYJYPAQZRPCT-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