General Information of the Compound
| Compound ID |
CP0441366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30ClN7O2
|
||||||||||||||||||
| Molecular Weight |
484.004
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)ccn3c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30ClN7O2/c1-27-21-20(22(33)28(2)24(27)34)32-17-16-31(23(32)26-21)11-5-3-4-10-29-12-14-30(15-13-29)19-8-6-18(25)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMNXUQRZOVUMFZ-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
Protein ID: PT01005, D(2) dopamine receptor