General Information of the Compound
| Compound ID |
CP0848999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(2-Chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9-(tetrahydropyran-4-ylmethyl)purine Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32Cl2N6O
|
||||||||||||||||||
| Molecular Weight |
491.467
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CC2CCOCC2)CC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31ClN6O.ClH/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25;/h4-7,18H,3,8-16H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGOHXRYBJHVPSH-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2