General Information of the Compound
| Compound ID |
CP0436264
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[4-[4-(2,3-dichlorophenyl)piperidin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
447.406
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(C2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28Cl2N2O2/c25-21-5-3-4-20(24(21)26)17-10-13-28(14-11-17)12-1-2-15-30-19-8-6-18-7-9-23(29)27-22(18)16-19/h3-6,8,16-17H,1-2,7,9-15H2,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHSXGIFSVHMKHZ-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