General Information of the Compound
| Compound ID |
CP0848505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-yl-8-[3-(trifluoromethyl)phenyl]purine Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
496.965
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N2CCN(C)CC2)c2nc(-c3cccc(C(F)(F)F)c3)n(C3CCOCC3)c2n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27F3N6O.ClH/c1-15-27-21(31-10-8-30(2)9-11-31)19-22(28-15)32(18-6-12-33-13-7-18)20(29-19)16-4-3-5-17(14-16)23(24,25)26;/h3-5,14,18H,6-13H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZFFLBJACHMOJG-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