General Information of the Compound
| Compound ID |
CP0500311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-1-phenylcyclohexan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25Cl2N5
|
||||||||||||||||||
| Molecular Weight |
514.46
|
||||||||||||||||||
| Canonical SMILES |
NC1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25Cl2N5/c30-21-10-12-22(13-11-21)36-27(23-8-4-5-9-24(23)31)35-26-25(33-18-34-28(26)36)19-14-16-29(32,17-15-19)20-6-2-1-3-7-20/h1-13,18-19H,14-17,32H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQCGXXWUEXMVRS-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