General Information of the Compound
| Compound ID |
CP0432424
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]-2,2-dimethylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32ClN3O2
|
||||||||||||||||||
| Molecular Weight |
381.948
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32ClN3O2/c1-20(2,3)19(25)22-9-5-6-10-23-11-13-24(14-12-23)17-8-7-16(21)15-18(17)26-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXDBIOHPDJQSGV-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: PT01161, D(4) dopamine receptor