General Information of the Compound
| Compound ID |
CP0372877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H43N5
|
||||||||||||||||||
| Molecular Weight |
437.676
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHDRRZZOAOZYJS-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor