General Information of the Compound
| Compound ID |
CP0418217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25ClN6O2
|
||||||||||||||||||
| Molecular Weight |
416.913
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ncn(CCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25ClN6O2.ClH/c1-23-18-17(19(28)24(2)20(23)29)27(14-22-18)8-4-7-25-9-11-26(12-10-25)16-6-3-5-15(21)13-16;/h3,5-6,13-14H,4,7-12H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUMJQIMKVJQZQY-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