General Information of the Compound
| Compound ID |
CP0416547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylpiperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29Cl2N7O
|
||||||||||||||||||
| Molecular Weight |
550.494
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)NC1CCCCC1)-c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29Cl2N7O/c29-19-10-12-21(13-11-19)37-25(22-8-4-5-9-23(22)30)34-24-26(31-18-32-27(24)37)35-14-16-36(17-15-35)28(38)33-20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLPULUWGCFJTDE-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