General Information of the Compound
| Compound ID |
CP0543164
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26Cl2N6O2
|
||||||||||||||||||
| Molecular Weight |
465.385
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ncn(CCCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26Cl2N6O2.ClH/c1-25-19-18(20(30)26(2)21(25)31)29(14-24-19)8-4-3-7-27-9-11-28(12-10-27)15-5-6-16(22)17(23)13-15;/h5-6,13-14H,3-4,7-12H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJMJCFGXMWADSK-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7