General Information of the Compound
| Compound ID |
CP0857036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-Fluoroethoxy)-5-methyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34FN3O7
|
||||||||||||||||||
| Molecular Weight |
531.581
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(C)ccc2OCCF)CC1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32FN3O3.C2H2O4/c1-20-9-10-23(32-18-11-26)21(19-20)25(30)27-12-5-6-13-28-14-16-29(17-15-28)22-7-3-4-8-24(22)31-2;3-1(4)2(5)6/h3-10,19H,11-18H2,1-2H3,(H,27,30);(H,3,4)(H,5,6)/b6-5+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRTFYCFFFRQJLU-IPZCTEOASA-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