General Information of the Compound
| Compound ID |
CP0786650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-Fluoroethoxy)-N-(4-(4-(2-methoxyphenyl)-piperazin-1-yl)-butyl)benzamide oxalic acid salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34FN3O7
|
||||||||||||||||||
| Molecular Weight |
519.57
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32FN3O3.C2H2O4/c1-30-23-7-3-2-6-22(23)28-17-15-27(16-18-28)14-5-4-13-26-24(29)20-8-10-21(11-9-20)31-19-12-25;3-1(4)2(5)6/h2-3,6-11H,4-5,12-19H2,1H3,(H,26,29);(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMTKMJBLJKYBIO-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