General Information of the Compound
| Compound ID |
CP0554865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-thiophen-3-yl-N-[4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F3N3OS
|
||||||||||||||||||
| Molecular Weight |
487.591
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F3N3OS/c27-26(28,29)23-5-1-2-6-24(23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)21-9-7-20(8-10-21)22-11-18-34-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSQYYIMQKSBFSO-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